1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide

C15H21N3O2 — CID 115452348

IUPAC1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C15H21N3O2/c1-3-13(19)17-11-5-4-10(2)12(8-11)18-14(20)15(9-16)6-7-15/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBSACTNSDRNJHNP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.02
Rot. Bonds5

About 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 115452348) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID115452348
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C15H21N3O2/c1-3-13(19)17-11-5-4-10(2)12(8-11)18-14(20)15(9-16)6-7-15/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBSACTNSDRNJHNP-UHFFFAOYSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
CID 115182511
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylbenzoic acid
CID 115447773
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
1-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 106954286
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 55779910
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide (CID 115452348) is 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)C2(CN)CC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is BSACTNSDRNJHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-13(19)17-11-5-4-10(2)12(8-11)18-14(20)15(9-16)6-7-15/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-methyl-5-(propanoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).