N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide

C14H22N2O — CID 43459012

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CC(C)C
InChIInChI=1S/C14H22N2O/c1-4-16(14(17)8-11(2)3)10-12-6-5-7-13(15)9-12/h5-7,9,11H,4,8,10,15H2,1-3H3
InChIKeyMSNPEHMQKXWGNM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide

N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide (PubChem CID 43459012) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
PubChem CID43459012
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CC(C)C
InChIInChI=1S/C14H22N2O/c1-4-16(14(17)8-11(2)3)10-12-6-5-7-13(15)9-12/h5-7,9,11H,4,8,10,15H2,1-3H3
InChIKeyMSNPEHMQKXWGNM-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.66
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

N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide
CID 63833207
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
3-amino-N-[(3-bromophenyl)methyl]-N-ethylbutanamide
CID 119722122
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 43458967
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide (CID 43459012) is N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide is CCN(Cc1cccc(N)c1)C(=O)CC(C)C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide?
The InChIKey is MSNPEHMQKXWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(14(17)8-11(2)3)10-12-6-5-7-13(15)9-12/h5-7,9,11H,4,8,10,15H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide?
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 43459012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).