methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate

C18H20N2O3 — CID 60533219

IUPACmethyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-23-18(22)20-16-11-6-10-15(13-16)19-17(21)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyGOPAZJGQEPEOHZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.83
Rot. Bonds6

About methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate

methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate (PubChem CID 60533219) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
PubChem CID60533219
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-23-18(22)20-16-11-6-10-15(13-16)19-17(21)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyGOPAZJGQEPEOHZ-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
methyl 3-[3-(4-phenylbutanoylamino)phenyl]prop-2-enoate
CID 66958346
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoate
CID 17222891
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
CID 109030973
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate (CID 60533219) is methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)CCCc2ccccc2)c1.
What is the InChIKey of methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate?
The InChIKey is GOPAZJGQEPEOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-18(22)20-16-11-6-10-15(13-16)19-17(21)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate?
methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate is sourced from PubChem (CID 60533219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).