4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide

C19H31N3O — CID 120565155

IUPAC4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccccc1CN1CCCCCC1
InChIInChI=1S/C19H31N3O/c1-16(20)10-11-19(23)21-14-17-8-4-5-9-18(17)15-22-12-6-2-3-7-13-22/h4-5,8-9,16H,2-3,6-7,10-15,20H2,1H3,(H,21,23)
InChIKeyCVXFINOGQZDCDM-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.81
Rot. Bonds7

About 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide

4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide (PubChem CID 120565155) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
PubChem CID120565155
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccccc1CN1CCCCCC1
InChIInChI=1S/C19H31N3O/c1-16(20)10-11-19(23)21-14-17-8-4-5-9-18(17)15-22-12-6-2-3-7-13-22/h4-5,8-9,16H,2-3,6-7,10-15,20H2,1H3,(H,21,23)
InChIKeyCVXFINOGQZDCDM-UHFFFAOYSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
(2S)-2-amino-3,3-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836532
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
4-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pentanamide
CID 120565429
3-(2-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644779
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide (CID 120565155) is 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide is CC(N)CCC(=O)NCc1ccccc1CN1CCCCCC1.
What is the InChIKey of 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide?
The InChIKey is CVXFINOGQZDCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16(20)10-11-19(23)21-14-17-8-4-5-9-18(17)15-22-12-6-2-3-7-13-22/h4-5,8-9,16H,2-3,6-7,10-15,20H2,1H3,(H,21,23).
What are the key properties of 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide?
4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide has a molecular weight of 317.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 120565155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).