N-(3-methoxyphenyl)-4-phenylbutanamide

C17H19NO2 — CID 683926

IUPACN-(3-methoxyphenyl)-4-phenylbutanamide
SMILESCOc1cccc(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-20-16-11-6-10-15(13-16)18-17(19)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,18,19)
InChIKeyNEDZYGCAQONIPX-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.66
Rot. Bonds6

About N-(3-methoxyphenyl)-4-phenylbutanamide

N-(3-methoxyphenyl)-4-phenylbutanamide (PubChem CID 683926) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-phenylbutanamide
PubChem CID683926
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(3-methoxyphenyl)-4-phenylbutanamide
SMILESCOc1cccc(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-20-16-11-6-10-15(13-16)18-17(19)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,18,19)
InChIKeyNEDZYGCAQONIPX-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
CID 60533219
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 120871619
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240560
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
methyl 3-[3-(4-phenylbutanoylamino)phenyl]prop-2-enoate
CID 66958346
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-phenylbutanamide?
The IUPAC name of N-(3-methoxyphenyl)-4-phenylbutanamide (CID 683926) is N-(3-methoxyphenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-phenylbutanamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-phenylbutanamide is COc1cccc(NC(=O)CCCc2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-phenylbutanamide?
The InChIKey is NEDZYGCAQONIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-16-11-6-10-15(13-16)18-17(19)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,18,19).
What are the key properties of N-(3-methoxyphenyl)-4-phenylbutanamide?
N-(3-methoxyphenyl)-4-phenylbutanamide has a molecular weight of 269.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-phenylbutanamide is sourced from PubChem (CID 683926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).