(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide

C19H31N3O2 — CID 119832228

IUPAC(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide
SMILESCOc1cccc(C(CNC(=O)[C@@H](N)CC(C)C)N2CCCC2)c1
InChIInChI=1S/C19H31N3O2/c1-14(2)11-17(20)19(23)21-13-18(22-9-4-5-10-22)15-7-6-8-16(12-15)24-3/h6-8,12,14,17-18H,4-5,9-11,13,20H2,1-3H3,(H,21,23)/t17-,18?/m0/s1
InChIKeyQYIHTUCRIVGRDJ-ZENAZSQFSA-N
MW333.48 g/mol
LogP2.32
Rot. Bonds8

About (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide (PubChem CID 119832228) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide
PubChem CID119832228
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide
SMILESCOc1cccc(C(CNC(=O)[C@@H](N)CC(C)C)N2CCCC2)c1
InChIInChI=1S/C19H31N3O2/c1-14(2)11-17(20)19(23)21-13-18(22-9-4-5-10-22)15-7-6-8-16(12-15)24-3/h6-8,12,14,17-18H,4-5,9-11,13,20H2,1-3H3,(H,21,23)/t17-,18?/m0/s1
InChIKeyQYIHTUCRIVGRDJ-ZENAZSQFSA-N
XLogP2.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
(2R)-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036059
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738
(2S)-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94067857
1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179730
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832172
4-tert-butyl-N-[1-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 112767398
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119832171
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide (CID 119832228) is (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide is COc1cccc(C(CNC(=O)[C@@H](N)CC(C)C)N2CCCC2)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide?
The InChIKey is QYIHTUCRIVGRDJ-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)11-17(20)19(23)21-13-18(22-9-4-5-10-22)15-7-6-8-16(12-15)24-3/h6-8,12,14,17-18H,4-5,9-11,13,20H2,1-3H3,(H,21,23)/t17-,18?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide has a molecular weight of 333.48 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide is sourced from PubChem (CID 119832228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).