3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide

C16H25N3O2 — CID 60848408

IUPAC3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(C)(N)CCC)c1
InChIInChI=1S/C16H25N3O2/c1-4-9-16(3,17)15(21)19-13-8-6-7-12(11-13)14(20)18-10-5-2/h6-8,11H,4-5,9-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDMZAZJVXKXQTRV-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.28
Rot. Bonds7

About 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide

3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide (PubChem CID 60848408) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
PubChem CID60848408
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(C)(N)CCC)c1
InChIInChI=1S/C16H25N3O2/c1-4-9-16(3,17)15(21)19-13-8-6-7-12(11-13)14(20)18-10-5-2/h6-8,11H,4-5,9-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDMZAZJVXKXQTRV-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022
3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
CID 120588231
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119776002
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119702770
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]-3-methoxybenzamide
CID 119703544
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide (CID 60848408) is 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)C(C)(N)CCC)c1.
What is the InChIKey of 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide?
The InChIKey is DMZAZJVXKXQTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-16(3,17)15(21)19-13-8-6-7-12(11-13)14(20)18-10-5-2/h6-8,11H,4-5,9-10,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide?
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 60848408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).