2-[2-(heptylamino)phenyl]-N-methylacetamide

C16H26N2O — CID 43692231

IUPAC2-[2-(heptylamino)phenyl]-N-methylacetamide
SMILESCCCCCCCNc1ccccc1CC(=O)NC
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)13-16(19)17-2/h7-8,10-11,18H,3-6,9,12-13H2,1-2H3,(H,17,19)
InChIKeyPFZSXEIEIUBULK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.36
Rot. Bonds9

About 2-[2-(heptylamino)phenyl]-N-methylacetamide

2-[2-(heptylamino)phenyl]-N-methylacetamide (PubChem CID 43692231) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(heptylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(heptylamino)phenyl]-N-methylacetamide
PubChem CID43692231
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[2-(heptylamino)phenyl]-N-methylacetamide
SMILESCCCCCCCNc1ccccc1CC(=O)NC
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)13-16(19)17-2/h7-8,10-11,18H,3-6,9,12-13H2,1-2H3,(H,17,19)
InChIKeyPFZSXEIEIUBULK-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(2-propylanilino)butanamide
CID 63891193
tert-butyl N-[[2-(heptylamino)phenyl]methyl]carbamate
CID 107247253
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
CID 107247163
2-(hexadecylamino)phenol
CID 154256819
2-(tetradecylamino)benzoic acid
CID 15090293
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 61319910
2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62344823
2-(2-nonylanilino)ethanol
CID 160982770
N-methyl-8-(2-prop-1-en-2-ylanilino)octanamide
CID 130335297

Frequently Asked Questions

What is the IUPAC name of 2-[2-(heptylamino)phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-(heptylamino)phenyl]-N-methylacetamide (CID 43692231) is 2-[2-(heptylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(heptylamino)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(heptylamino)phenyl]-N-methylacetamide is CCCCCCCNc1ccccc1CC(=O)NC.
What is the InChIKey of 2-[2-(heptylamino)phenyl]-N-methylacetamide?
The InChIKey is PFZSXEIEIUBULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)13-16(19)17-2/h7-8,10-11,18H,3-6,9,12-13H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-(heptylamino)phenyl]-N-methylacetamide?
2-[2-(heptylamino)phenyl]-N-methylacetamide has a molecular weight of 262.40 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(heptylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 43692231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).