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

C15H23N3O2 — CID 43700232

IUPAC3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(N)C(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-4-8-17-14(19)11-6-5-7-12(9-11)18-15(20)13(16)10(2)3/h5-7,9-10,13H,4,8,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDBNGAXZHFRFWFR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds6

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

3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide (PubChem CID 43700232) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
PubChem CID43700232
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(N)C(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-4-8-17-14(19)11-6-5-7-12(9-11)18-15(20)13(16)10(2)3/h5-7,9-10,13H,4,8,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDBNGAXZHFRFWFR-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
3-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride
CID 119318176
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
CID 104907128
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052
3-(ethylamino)-N-propylbenzamide
CID 43676038

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide (CID 43700232) is 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)C(N)C(C)C)c1.
What is the InChIKey of 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide?
The InChIKey is DBNGAXZHFRFWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-8-17-14(19)11-6-5-7-12(9-11)18-15(20)13(16)10(2)3/h5-7,9-10,13H,4,8,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide?
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 43700232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).