N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide

C19H22N4O2 — CID 119736029

IUPACN-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESNc1ccc(CC(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N4O2/c20-15-9-7-14(8-10-15)13-18(24)21-16-5-1-2-6-17(16)22-19(25)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13,20H2,(H,21,24)(H,22,25)
InChIKeyRDWTYAWZXXQIHQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.08
Rot. Bonds4

About N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 119736029) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID119736029
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESNc1ccc(CC(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N4O2/c20-15-9-7-14(8-10-15)13-18(24)21-16-5-1-2-6-17(16)22-19(25)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13,20H2,(H,21,24)(H,22,25)
InChIKeyRDWTYAWZXXQIHQ-UHFFFAOYSA-N
XLogP3.08
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 119871528
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119950213
2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide
CID 91075278

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 119736029) is N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide is Nc1ccc(CC(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is RDWTYAWZXXQIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-15-9-7-14(8-10-15)13-18(24)21-16-5-1-2-6-17(16)22-19(25)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13,20H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 119736029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).