1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide

C15H22N2O — CID 65464465

IUPAC1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)C1(N)CC1
InChIInChI=1S/C15H22N2O/c1-17(14(18)15(16)10-11-15)12-6-5-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,16H2,1H3
InChIKeyXRHGXDAXZOEWIB-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds6

About 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide

1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide (PubChem CID 65464465) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
PubChem CID65464465
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)C1(N)CC1
InChIInChI=1S/C15H22N2O/c1-17(14(18)15(16)10-11-15)12-6-5-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,16H2,1H3
InChIKeyXRHGXDAXZOEWIB-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 54871932
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190038
1-amino-N-ethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 60947468
1-amino-N-[3-(dimethylamino)propyl]-N-methylcyclopropane-1-carboxamide
CID 65458413
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide (CID 65464465) is 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide is CN(CCCCc1ccccc1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide?
The InChIKey is XRHGXDAXZOEWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17(14(18)15(16)10-11-15)12-6-5-9-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,16H2,1H3.
What are the key properties of 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide?
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65464465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).