2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide

C16H25N3O2 — CID 24710893

IUPAC2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C16H25N3O2/c1-4-9-18-15(20)12-7-5-6-8-14(12)19-16(21)13(17)10-11(2)3/h5-8,11,13H,4,9-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOBTAOJMJHXDBFT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.14
Rot. Bonds7

About 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide

2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide (PubChem CID 24710893) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
PubChem CID24710893
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C(N)CC(C)C
InChIInChI=1S/C16H25N3O2/c1-4-9-18-15(20)12-7-5-6-8-14(12)19-16(21)13(17)10-11(2)3/h5-8,11,13H,4,9-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOBTAOJMJHXDBFT-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
CID 24692164
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide?
The IUPAC name of 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide (CID 24710893) is 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide?
The canonical SMILES for 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)C(N)CC(C)C.
What is the InChIKey of 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide?
The InChIKey is OBTAOJMJHXDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-18-15(20)12-7-5-6-8-14(12)19-16(21)13(17)10-11(2)3/h5-8,11,13H,4,9-10,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide?
2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 24710893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).