N-[3-(phenylcarbamoylamino)phenyl]pentanamide

C18H21N3O2 — CID 51326660

IUPACN-[3-(phenylcarbamoylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-2-3-12-17(22)19-15-10-7-11-16(13-15)21-18(23)20-14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyLSWBWLXBSNMWKH-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.46
Rot. Bonds6

About N-[3-(phenylcarbamoylamino)phenyl]pentanamide

N-[3-(phenylcarbamoylamino)phenyl]pentanamide (PubChem CID 51326660) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-(phenylcarbamoylamino)phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-(phenylcarbamoylamino)phenyl]pentanamide
PubChem CID51326660
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[3-(phenylcarbamoylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-2-3-12-17(22)19-15-10-7-11-16(13-15)21-18(23)20-14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyLSWBWLXBSNMWKH-UHFFFAOYSA-N
XLogP4.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
N-[3-(pentanoylcarbamothioylamino)phenyl]hexanamide
CID 26161880
N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide
CID 95628833
N-[3-[[(S)-benzylsulfinyl]methyl]phenyl]pentanamide
CID 95628832
N-(3-tributylstannylphenyl)pentanamide
CID 67913040
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
formamide;N-phenylheptanamide
CID 143464966
5-oxo-N-phenylheptadecanamide
CID 3308902

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]pentanamide?
The IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]pentanamide (CID 51326660) is N-[3-(phenylcarbamoylamino)phenyl]pentanamide.
What is the SMILES notation for N-[3-(phenylcarbamoylamino)phenyl]pentanamide?
The canonical SMILES for N-[3-(phenylcarbamoylamino)phenyl]pentanamide is CCCCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[3-(phenylcarbamoylamino)phenyl]pentanamide?
The InChIKey is LSWBWLXBSNMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-3-12-17(22)19-15-10-7-11-16(13-15)21-18(23)20-14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[3-(phenylcarbamoylamino)phenyl]pentanamide?
N-[3-(phenylcarbamoylamino)phenyl]pentanamide has a molecular weight of 311.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenylcarbamoylamino)phenyl]pentanamide is sourced from PubChem (CID 51326660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).