2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide

C15H22N2O — CID 114997651

IUPAC2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)C2CC2N)cc1
InChIInChI=1S/C15H22N2O/c1-10(2)12-6-4-11(5-7-12)9-17(3)15(18)13-8-14(13)16/h4-7,10,13-14H,8-9,16H2,1-3H3
InChIKeyDCLTWWJENRNMSK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide

2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 114997651) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID114997651
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)C2CC2N)cc1
InChIInChI=1S/C15H22N2O/c1-10(2)12-6-4-11(5-7-12)9-17(3)15(18)13-8-14(13)16/h4-7,10,13-14H,8-9,16H2,1-3H3
InChIKeyDCLTWWJENRNMSK-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237531
2-amino-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237360
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66235837
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide (CID 114997651) is 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide is CC(C)c1ccc(CN(C)C(=O)C2CC2N)cc1.
What is the InChIKey of 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is DCLTWWJENRNMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)12-6-4-11(5-7-12)9-17(3)15(18)13-8-14(13)16/h4-7,10,13-14H,8-9,16H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide?
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 114997651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).