2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide

C16H23N3O3 — CID 120500588

IUPAC2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
SMILESCOc1ccc(NC(=O)C(C)C(C)N)c(C(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O3/c1-9(10(2)17)15(20)19-14-7-6-12(22-3)8-13(14)16(21)18-11-4-5-11/h6-11H,4-5,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCNPQDZXQICHLPH-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.51
Rot. Bonds6

About 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide

2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide (PubChem CID 120500588) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide.

Molecular Properties

Compound Name2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
PubChem CID120500588
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
SMILESCOc1ccc(NC(=O)C(C)C(C)N)c(C(=O)NC2CC2)c1
InChIInChI=1S/C16H23N3O3/c1-9(10(2)17)15(20)19-14-7-6-12(22-3)8-13(14)16(21)18-11-4-5-11/h6-11H,4-5,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCNPQDZXQICHLPH-UHFFFAOYSA-N
XLogP1.51
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181
N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119778203
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56782337
N-cyclopropyl-5-methoxy-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119778208
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
CID 56782333
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide?
The IUPAC name of 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide (CID 120500588) is 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide.
What is the SMILES notation for 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide?
The canonical SMILES for 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide is COc1ccc(NC(=O)C(C)C(C)N)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide?
The InChIKey is CNPQDZXQICHLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-9(10(2)17)15(20)19-14-7-6-12(22-3)8-13(14)16(21)18-11-4-5-11/h6-11H,4-5,17H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide?
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide has a molecular weight of 305.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide is sourced from PubChem (CID 120500588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).