(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C20H31N3O2 — CID 94733041

IUPAC(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](C)N(C)C1CC1
InChIInChI=1S/C20H31N3O2/c1-14(2)19(22-18(24)12-16-8-6-5-7-9-16)20(25)21-13-15(3)23(4)17-10-11-17/h5-9,14-15,17,19H,10-13H2,1-4H3,(H,21,25)(H,22,24)/t15-,19-/m1/s1
InChIKeySIIVBCQZWDLMQU-DNVCBOLYSA-N
MW345.49 g/mol
LogP1.97
Rot. Bonds9

About (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 94733041) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID94733041
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](C)N(C)C1CC1
InChIInChI=1S/C20H31N3O2/c1-14(2)19(22-18(24)12-16-8-6-5-7-9-16)20(25)21-13-15(3)23(4)17-10-11-17/h5-9,14-15,17,19H,10-13H2,1-4H3,(H,21,25)(H,22,24)/t15-,19-/m1/s1
InChIKeySIIVBCQZWDLMQU-DNVCBOLYSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111104301
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119527674
N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 119619459
2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814364
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55336268
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 134047108
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide
CID 8969342

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 94733041) is (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H](C)N(C)C1CC1.
What is the InChIKey of (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is SIIVBCQZWDLMQU-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14(2)19(22-18(24)12-16-8-6-5-7-9-16)20(25)21-13-15(3)23(4)17-10-11-17/h5-9,14-15,17,19H,10-13H2,1-4H3,(H,21,25)(H,22,24)/t15-,19-/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 345.49 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 94733041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).