4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide

C17H26N2O2 — CID 120560576

IUPAC4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-14(18)7-8-16(20)19-13-17(9-11-21-12-10-17)15-5-3-2-4-6-15/h2-6,14H,7-13,18H2,1H3,(H,19,20)
InChIKeyBSESTEONXWXULY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.98
Rot. Bonds6

About 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide

4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide (PubChem CID 120560576) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
PubChem CID120560576
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
SMILESCC(N)CCC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-14(18)7-8-16(20)19-13-17(9-11-21-12-10-17)15-5-3-2-4-6-15/h2-6,14H,7-13,18H2,1H3,(H,19,20)
InChIKeyBSESTEONXWXULY-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111504888
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111454581

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide (CID 120560576) is 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide is CC(N)CCC(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide?
The InChIKey is BSESTEONXWXULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(18)7-8-16(20)19-13-17(9-11-21-12-10-17)15-5-3-2-4-6-15/h2-6,14H,7-13,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide?
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide has a molecular weight of 290.41 g/mol, XLogP of 1.98, 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-phenyloxan-4-yl)methyl]pentanamide is sourced from PubChem (CID 120560576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).