2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide

C16H21N3O2 — CID 60868065

IUPAC2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide
SMILESCC(N)(C(=O)Nc1ccccc1C(=O)NC1CC1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-16(17,10-6-7-10)15(21)19-13-5-3-2-4-12(13)14(20)18-11-8-9-11/h2-5,10-11H,6-9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyORTHJQMKYQAFBA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.64
Rot. Bonds5

About 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide

2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide (PubChem CID 60868065) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide
PubChem CID60868065
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide
SMILESCC(N)(C(=O)Nc1ccccc1C(=O)NC1CC1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-16(17,10-6-7-10)15(21)19-13-5-3-2-4-12(13)14(20)18-11-8-9-11/h2-5,10-11H,6-9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyORTHJQMKYQAFBA-UHFFFAOYSA-N
XLogP1.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-cyclopropylpropanoyl)amino]-N,N-dimethylbenzamide
CID 60867156
3-cyclohexyl-4-[2-(cyclopropylcarbamoyl)anilino]-3-methyl-4-oxobutanoic acid
CID 119107581
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
2-amino-2-cyclopropyl-N-[2-(methoxymethyl)phenyl]propanamide
CID 54924986
2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453622
2-amino-2-cyclopropyl-N-(2,3-dimethylphenyl)propanamide
CID 54924935
2-amino-2-cyclopropyl-N-[2-[(dimethylamino)methyl]phenyl]propanamide
CID 60865925
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide (CID 60868065) is 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide is CC(N)(C(=O)Nc1ccccc1C(=O)NC1CC1)C1CC1.
What is the InChIKey of 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide?
The InChIKey is ORTHJQMKYQAFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(17,10-6-7-10)15(21)19-13-5-3-2-4-12(13)14(20)18-11-8-9-11/h2-5,10-11H,6-9,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide?
2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-cyclopropylpropanoyl)amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 60868065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).