N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide

C16H25N3O — CID 104690862

IUPACN-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
SMILESCCC1CCCCCN1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H25N3O/c1-2-15-6-4-3-5-11-19(15)16(20)18-14-9-7-13(12-17)8-10-14/h7-10,15H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyAYTZGYWLGKBEAM-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.33
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide

N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide (PubChem CID 104690862) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
PubChem CID104690862
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
SMILESCCC1CCCCCN1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H25N3O/c1-2-15-6-4-3-5-11-19(15)16(20)18-14-9-7-13(12-17)8-10-14/h7-10,15H,2-6,11-12,17H2,1H3,(H,18,20)
InChIKeyAYTZGYWLGKBEAM-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 97291407
2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108990903
N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108522277
2-[4-(aminomethyl)phenoxy]-1-(2-ethylazepan-1-yl)ethanone
CID 104688680
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide (CID 104690862) is N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide is CCC1CCCCCN1C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide?
The InChIKey is AYTZGYWLGKBEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-15-6-4-3-5-11-19(15)16(20)18-14-9-7-13(12-17)8-10-14/h7-10,15H,2-6,11-12,17H2,1H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide?
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide is sourced from PubChem (CID 104690862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).