(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide

C19H30N4O2 — CID 119872849

IUPAC(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C19H30N4O2/c1-13(2)11-17(20)19(25)21-14(3)18(24)22-15-7-6-8-16(12-15)23-9-4-5-10-23/h6-8,12-14,17H,4-5,9-11,20H2,1-3H3,(H,21,25)(H,22,24)/t14?,17-/m0/s1
InChIKeyRNTGFZNYQZZHBN-JRZJBTRGSA-N
MW346.48 g/mol
LogP2.10
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide

(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide (PubChem CID 119872849) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
PubChem CID119872849
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C19H30N4O2/c1-13(2)11-17(20)19(25)21-14(3)18(24)22-15-7-6-8-16(12-15)23-9-4-5-10-23/h6-8,12-14,17H,4-5,9-11,20H2,1-3H3,(H,21,25)(H,22,24)/t14?,17-/m0/s1
InChIKeyRNTGFZNYQZZHBN-JRZJBTRGSA-N
XLogP2.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 119872791
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide
CID 124591800
3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119872800
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide (CID 119872849) is (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide is CC(C)C[C@H](N)C(=O)NC(C)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide?
The InChIKey is RNTGFZNYQZZHBN-JRZJBTRGSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)11-17(20)19(25)21-14(3)18(24)22-15-7-6-8-16(12-15)23-9-4-5-10-23/h6-8,12-14,17H,4-5,9-11,20H2,1-3H3,(H,21,25)(H,22,24)/t14?,17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide?
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide has a molecular weight of 346.48 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide is sourced from PubChem (CID 119872849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).