2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide

C17H24N2O — CID 115056293

IUPAC2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CC1)c1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-16(2,15(20)19-14-7-8-14)13-5-3-12(4-6-13)11-17(18)9-10-17/h3-6,14H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyHHLGJEVYECSVPG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide

2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide (PubChem CID 115056293) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide
PubChem CID115056293
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CC1)c1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-16(2,15(20)19-14-7-8-14)13-5-3-12(4-6-13)11-17(18)9-10-17/h3-6,14H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyHHLGJEVYECSVPG-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
CID 80556915
N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
2-(4-chlorophenyl)-N-cyclopentyl-2-methylpropanamide
CID 47300023
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447
1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine
CID 117116098
2-(4-bromophenyl)-2-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119390315
N-(4-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119475522
cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676154
cis-(1R,3S)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678355
2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide (CID 115056293) is 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide is CC(C)(C(=O)NC1CC1)c1ccc(CC2(N)CC2)cc1.
What is the InChIKey of 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide?
The InChIKey is HHLGJEVYECSVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-16(2,15(20)19-14-7-8-14)13-5-3-12(4-6-13)11-17(18)9-10-17/h3-6,14H,7-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide?
2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 115056293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).