N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide

C18H29N3O — CID 119615851

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C18H29N3O/c1-11(2)13(4)20-16-7-5-6-15(12(16)3)18(22)21-17(10-19)14-8-9-14/h5-7,11,13-14,17,20H,8-10,19H2,1-4H3,(H,21,22)
InChIKeyDDPCSOWVXXKDSP-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.92
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide

N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide (PubChem CID 119615851) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
PubChem CID119615851
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
SMILESCc1c(NC(C)C(C)C)cccc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C18H29N3O/c1-11(2)13(4)20-16-7-5-6-15(12(16)3)18(22)21-17(10-19)14-8-9-14/h5-7,11,13-14,17,20H,8-10,19H2,1-4H3,(H,21,22)
InChIKeyDDPCSOWVXXKDSP-UHFFFAOYSA-N
XLogP2.92
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119407414
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
CID 64918620
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119614272
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119497813
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide (CID 119615851) is N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide is Cc1c(NC(C)C(C)C)cccc1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide?
The InChIKey is DDPCSOWVXXKDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-11(2)13(4)20-16-7-5-6-15(12(16)3)18(22)21-17(10-19)14-8-9-14/h5-7,11,13-14,17,20H,8-10,19H2,1-4H3,(H,21,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide?
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide is sourced from PubChem (CID 119615851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).