N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

C20H23N3O2 — CID 146258006

IUPACN-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C20H23N3O2/c24-19(12-11-15-6-2-1-3-7-15)22-16-8-4-9-17(14-16)23-20(25)18-10-5-13-21-18/h1-4,6-9,14,18,21H,5,10-13H2,(H,22,24)(H,23,25)
InChIKeyQFIZWCPFXKFIHA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.95
Rot. Bonds6

About N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 146258006) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID146258006
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C20H23N3O2/c24-19(12-11-15-6-2-1-3-7-15)22-16-8-4-9-17(14-16)23-20(25)18-10-5-13-21-18/h1-4,6-9,14,18,21H,5,10-13H2,(H,22,24)(H,23,25)
InChIKeyQFIZWCPFXKFIHA-UHFFFAOYSA-N
XLogP2.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 154912466
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119320762
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
N-[3-(benzylsulfinylmethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119327157
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide (CID 146258006) is N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide is O=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is QFIZWCPFXKFIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(12-11-15-6-2-1-3-7-15)22-16-8-4-9-17(14-16)23-20(25)18-10-5-13-21-18/h1-4,6-9,14,18,21H,5,10-13H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide?
N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146258006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).