2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid

C20H24N4O3 — CID 67396623

IUPAC2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC(CCNC(=O)O)C2)cc1
InChIInChI=1S/C20H24N4O3/c21-17-3-1-2-4-18(17)23-19(25)15-5-7-16(8-6-15)24-12-10-14(13-24)9-11-22-20(26)27/h1-8,14,22H,9-13,21H2,(H,23,25)(H,26,27)
InChIKeyREKYGNPZROOEAR-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid

2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid (PubChem CID 67396623) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid
PubChem CID67396623
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC(CCNC(=O)O)C2)cc1
InChIInChI=1S/C20H24N4O3/c21-17-3-1-2-4-18(17)23-19(25)15-5-7-16(8-6-15)24-12-10-14(13-24)9-11-22-20(26)27/h1-8,14,22H,9-13,21H2,(H,23,25)(H,26,27)
InChIKeyREKYGNPZROOEAR-UHFFFAOYSA-N
XLogP3.01
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]-(cyclopropylmethyl)carbamic acid
CID 69299626
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] carbamate
CID 69032775
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]benzamide
CID 159822265
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]-(oxan-4-yl)carbamic acid
CID 118643888
N-[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]morpholine-4-carboxamide
CID 25071026
N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59737562
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
[(3R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] N-[(3S)-1-methylpyrrolidin-3-yl]carbamate
CID 67428089
2-[1-(2-amino-4-chlorophenyl)pyrrolidin-3-yl]ethylcarbamic acid
CID 66666792
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 167815058

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid (CID 67396623) is 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid is Nc1ccccc1NC(=O)c1ccc(N2CCC(CCNC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid?
The InChIKey is REKYGNPZROOEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-17-3-1-2-4-18(17)23-19(25)15-5-7-16(8-6-15)24-12-10-14(13-24)9-11-22-20(26)27/h1-8,14,22H,9-13,21H2,(H,23,25)(H,26,27).
What are the key properties of 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid?
2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid has a molecular weight of 368.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid is sourced from PubChem (CID 67396623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).