(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide

C32H44N4O3 — CID 67839597

IUPAC(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide
SMILESCCN(C(=O)CC1CC2(CCNCC2)c2ccccc21)C(=O)[C@@H](CCCc1ccccc1)NC(=O)C(C)(C)N
InChIInChI=1S/C32H44N4O3/c1-4-36(28(37)21-24-22-32(17-19-34-20-18-32)26-15-9-8-14-25(24)26)29(38)27(35-30(39)31(2,3)33)16-10-13-23-11-6-5-7-12-23/h5-9,11-12,14-15,24,27,34H,4,10,13,16-22,33H2,1-3H3,(H,35,39)/t24?,27-/m1/s1
InChIKeyQFARQIZEICFUSF-LFHRXCRSSA-N
MW532.73 g/mol
LogP3.81
Rot. Bonds10

About (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide

(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide (PubChem CID 67839597) has the molecular formula C32H44N4O3 and a molecular weight of 532.73 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide
PubChem CID67839597
Molecular FormulaC32H44N4O3
Molecular Weight532.73 g/mol
Exact Mass532.34
IUPAC Name(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide
SMILESCCN(C(=O)CC1CC2(CCNCC2)c2ccccc21)C(=O)[C@@H](CCCc1ccccc1)NC(=O)C(C)(C)N
InChIInChI=1S/C32H44N4O3/c1-4-36(28(37)21-24-22-32(17-19-34-20-18-32)26-15-9-8-14-25(24)26)29(38)27(35-30(39)31(2,3)33)16-10-13-23-11-6-5-7-12-23/h5-9,11-12,14-15,24,27,34H,4,10,13,16-22,33H2,1-3H3,(H,35,39)/t24?,27-/m1/s1
InChIKeyQFARQIZEICFUSF-LFHRXCRSSA-N
XLogP3.81
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.73
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate;hydrochloride
CID 70344355
2-amino-N-[1-[1-[2-(ethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide;hydrochloride
CID 23367839
ethyl 2-[(1S)-2-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
CID 54424104
ethyl 3-[1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanoate;hydrochloride
CID 45264542
ethyl 2-[1'-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
CID 54341987
2-amino-2-methyl-N-[1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-2-yl)-1-oxo-5-phenylpentan-2-yl]propanamide
CID 154730623
ethyl 2-[1'-[2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
CID 67461527
ethyl 2-[(1R)-1'-[2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate;hydrochloride
CID 67840113
2-[1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid
CID 22867263
(2S)-5-amino-1-[(1S)-1-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-methyl-2-(3-phenylpropyl)hexane-1,4-dione
CID 160716549
2-amino-2-methyl-N-[1-oxo-1-(3-oxospiro[2H-indene-1,4'-piperidine]-1'-yl)-5-phenylpentan-2-yl]propanamide
CID 23367874
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(2,2-dioxo-3-phenyl-2lambda6-thia-1-azaspiro[4.5]dec-3-en-4-yl)methyl]-N-ethyl-5-phenylpentanamide
CID 10144894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide?
The IUPAC name of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide (CID 67839597) is (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide.
What is the SMILES notation for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide?
The canonical SMILES for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide is CCN(C(=O)CC1CC2(CCNCC2)c2ccccc21)C(=O)[C@@H](CCCc1ccccc1)NC(=O)C(C)(C)N.
What is the InChIKey of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide?
The InChIKey is QFARQIZEICFUSF-LFHRXCRSSA-N. The full InChI is InChI=1S/C32H44N4O3/c1-4-36(28(37)21-24-22-32(17-19-34-20-18-32)26-15-9-8-14-25(24)26)29(38)27(35-30(39)31(2,3)33)16-10-13-23-11-6-5-7-12-23/h5-9,11-12,14-15,24,27,34H,4,10,13,16-22,33H2,1-3H3,(H,35,39)/t24?,27-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide?
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide has a molecular weight of 532.73 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-ethyl-5-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetyl)pentanamide is sourced from PubChem (CID 67839597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).