N-[(2-aminophenyl)methyl]-N-ethylheptanamide

C16H26N2O — CID 114751955

IUPACN-[(2-aminophenyl)methyl]-N-ethylheptanamide
SMILESCCCCCCC(=O)N(CC)Cc1ccccc1N
InChIInChI=1S/C16H26N2O/c1-3-5-6-7-12-16(19)18(4-2)13-14-10-8-9-11-15(14)17/h8-11H,3-7,12-13,17H2,1-2H3
InChIKeyBEFVCIKCDMJGDQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.59
Rot. Bonds8

About N-[(2-aminophenyl)methyl]-N-ethylheptanamide

N-[(2-aminophenyl)methyl]-N-ethylheptanamide (PubChem CID 114751955) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethylheptanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethylheptanamide
PubChem CID114751955
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethylheptanamide
SMILESCCCCCCC(=O)N(CC)Cc1ccccc1N
InChIInChI=1S/C16H26N2O/c1-3-5-6-7-12-16(19)18(4-2)13-14-10-8-9-11-15(14)17/h8-11H,3-7,12-13,17H2,1-2H3
InChIKeyBEFVCIKCDMJGDQ-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethylheptanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethylheptanamide (CID 114751955) is N-[(2-aminophenyl)methyl]-N-ethylheptanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethylheptanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethylheptanamide is CCCCCCC(=O)N(CC)Cc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethylheptanamide?
The InChIKey is BEFVCIKCDMJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-6-7-12-16(19)18(4-2)13-14-10-8-9-11-15(14)17/h8-11H,3-7,12-13,17H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethylheptanamide?
N-[(2-aminophenyl)methyl]-N-ethylheptanamide has a molecular weight of 262.40 g/mol, XLogP of 3.59, 8 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-ethylheptanamide is sourced from PubChem (CID 114751955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).