4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide

C16H23N3O2 — CID 103928702

IUPAC4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13(17)15(21)19-11-6-4-10(5-7-11)14(20)18-12-8-9-12/h4-7,12-13H,8-9,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyMIZXMNAOMJAGHV-ZDUSSCGKSA-N
MW289.38 g/mol
LogP1.89
Rot. Bonds4

About 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide

4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide (PubChem CID 103928702) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
PubChem CID103928702
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13(17)15(21)19-11-6-4-10(5-7-11)14(20)18-12-8-9-12/h4-7,12-13H,8-9,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyMIZXMNAOMJAGHV-ZDUSSCGKSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3,3-dimethylbutanoyl)amino]-N-cyclopropylbenzamide
CID 76887468
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-propan-2-ylbenzamide
CID 61179042
4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004
4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
CID 107903030
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide (CID 103928702) is 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide is CC(C)(C)[C@@H](N)C(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide?
The InChIKey is MIZXMNAOMJAGHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)13(17)15(21)19-11-6-4-10(5-7-11)14(20)18-12-8-9-12/h4-7,12-13H,8-9,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide?
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 103928702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).