N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

C20H20N4O2 — CID 56797746

IUPACN-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
SMILESNC(=O)Nc1cccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C20H20N4O2/c21-20(26)24-17-8-4-7-16(13-17)23-19(25)12-10-15-9-11-18(22-15)14-5-2-1-3-6-14/h1-9,11,13,22H,10,12H2,(H,23,25)(H3,21,24,26)
InChIKeySMJKJTXKZCYYKW-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.74
Rot. Bonds6

About N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide (PubChem CID 56797746) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
PubChem CID56797746
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
SMILESNC(=O)Nc1cccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C20H20N4O2/c21-20(26)24-17-8-4-7-16(13-17)23-19(25)12-10-15-9-11-18(22-15)14-5-2-1-3-6-14/h1-9,11,13,22H,10,12H2,(H,23,25)(H3,21,24,26)
InChIKeySMJKJTXKZCYYKW-UHFFFAOYSA-N
XLogP3.74
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(carbamoylamino)anilino]-5-oxopentanoic acid
CID 54868224
ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 55985130
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55914654
3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
3-phenyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 1315264
N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide (CID 56797746) is N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide is NC(=O)Nc1cccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The InChIKey is SMJKJTXKZCYYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20(26)24-17-8-4-7-16(13-17)23-19(25)12-10-15-9-11-18(22-15)14-5-2-1-3-6-14/h1-9,11,13,22H,10,12H2,(H,23,25)(H3,21,24,26).
What are the key properties of N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 56797746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).