N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

C18H27N3O2 — CID 119614272

IUPACN-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NC(CN)C1CC1)C(C)C
InChIInChI=1S/C18H27N3O2/c1-11(2)16(18(23)20-15(10-19)13-8-9-13)21-17(22)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyRRLRWMNTXXXDAJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.60
Rot. Bonds7

About N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (PubChem CID 119614272) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
PubChem CID119614272
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NC(CN)C1CC1)C(C)C
InChIInChI=1S/C18H27N3O2/c1-11(2)16(18(23)20-15(10-19)13-8-9-13)21-17(22)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyRRLRWMNTXXXDAJ-UHFFFAOYSA-N
XLogP1.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119591130
2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 97346221
N-(2-amino-1-cyclopropylethyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119616996
N-[(2S)-1-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 99845714
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide;hydrochloride
CID 119616306
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119456473
2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride
CID 119450919

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (CID 119614272) is N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C(=O)NC(CN)C1CC1)C(C)C.
What is the InChIKey of N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The InChIKey is RRLRWMNTXXXDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-11(2)16(18(23)20-15(10-19)13-8-9-13)21-17(22)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10,19H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 119614272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).