N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide

C16H24N2O — CID 55102715

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(Cc1ccccc1N)C1CC1
InChIInChI=1S/C16H24N2O/c1-4-16(2,3)15(19)18(13-9-10-13)11-12-7-5-6-8-14(12)17/h5-8,13H,4,9-11,17H2,1-3H3
InChIKeyWEPHAHCJWDQXTA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide

N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide (PubChem CID 55102715) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
PubChem CID55102715
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(Cc1ccccc1N)C1CC1
InChIInChI=1S/C16H24N2O/c1-4-16(2,3)15(19)18(13-9-10-13)11-12-7-5-6-8-14(12)17/h5-8,13H,4,9-11,17H2,1-3H3
InChIKeyWEPHAHCJWDQXTA-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide
CID 61488701
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide (CID 55102715) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(Cc1ccccc1N)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide?
The InChIKey is WEPHAHCJWDQXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(2,3)15(19)18(13-9-10-13)11-12-7-5-6-8-14(12)17/h5-8,13H,4,9-11,17H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide is sourced from PubChem (CID 55102715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).