3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide

C17H27N3O2 — CID 119685445

IUPAC3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-5-20(6-2)17(22)13-8-7-9-14(11-13)19-16(21)15(18)10-12(3)4/h7-9,11-12,15H,5-6,10,18H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyGULAGQNANSECMN-HNNXBMFYSA-N
MW305.42 g/mol
LogP2.48
Rot. Bonds7

About 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide (PubChem CID 119685445) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
PubChem CID119685445
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-5-20(6-2)17(22)13-8-7-9-14(11-13)19-16(21)15(18)10-12(3)4/h7-9,11-12,15H,5-6,10,18H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyGULAGQNANSECMN-HNNXBMFYSA-N
XLogP2.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119269046
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
CID 119712954
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
N-[2-(diethylamino)propyl]-N'-[3-(diethylcarbamoyl)phenyl]oxamide
CID 86997037
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
CID 24626096

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide (CID 119685445) is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide?
The InChIKey is GULAGQNANSECMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-20(6-2)17(22)13-8-7-9-14(11-13)19-16(21)15(18)10-12(3)4/h7-9,11-12,15H,5-6,10,18H2,1-4H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide?
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 119685445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).