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

C18H29N3O — CID 120565116

IUPAC4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-15(19)6-11-18(22)20-17-9-7-16(8-10-17)14-21-12-4-2-3-5-13-21/h7-10,15H,2-6,11-14,19H2,1H3,(H,20,22)
InChIKeyIWUULCDLSRXMKT-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.13
Rot. Bonds6

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

4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide (PubChem CID 120565116) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
PubChem CID120565116
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-15(19)6-11-18(22)20-17-9-7-16(8-10-17)14-21-12-4-2-3-5-13-21/h7-10,15H,2-6,11-14,19H2,1H3,(H,20,22)
InChIKeyIWUULCDLSRXMKT-UHFFFAOYSA-N
XLogP3.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
CID 120565087
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide (CID 120565116) is 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide is CC(N)CCC(=O)Nc1ccc(CN2CCCCCC2)cc1.
What is the InChIKey of 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide?
The InChIKey is IWUULCDLSRXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15(19)6-11-18(22)20-17-9-7-16(8-10-17)14-21-12-4-2-3-5-13-21/h7-10,15H,2-6,11-14,19H2,1H3,(H,20,22).
What are the key properties of 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide?
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide has a molecular weight of 303.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 120565116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).