[(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate

C23H24N4O4 — CID 67420835

IUPAC[(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate
SMILESNC(=O)OC1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)[C@H]1Cc1ccoc1
InChIInChI=1S/C23H24N4O4/c24-18-3-1-2-4-19(18)26-22(28)16-5-7-17(8-6-16)27-11-9-21(31-23(25)29)20(27)13-15-10-12-30-14-15/h1-8,10,12,14,20-21H,9,11,13,24H2,(H2,25,29)(H,26,28)/t20-,21?/m0/s1
InChIKeyQQGAPOUUPDZENL-BGERDNNASA-N
MW420.47 g/mol
LogP3.40
Rot. Bonds6

About [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate

[(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate (PubChem CID 67420835) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate
PubChem CID67420835
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name[(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate
SMILESNC(=O)OC1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)[C@H]1Cc1ccoc1
InChIInChI=1S/C23H24N4O4/c24-18-3-1-2-4-19(18)26-22(28)16-5-7-17(8-6-16)27-11-9-21(31-23(25)29)20(27)13-15-10-12-30-14-15/h1-8,10,12,14,20-21H,9,11,13,24H2,(H2,25,29)(H,26,28)/t20-,21?/m0/s1
InChIKeyQQGAPOUUPDZENL-BGERDNNASA-N
XLogP3.40
TPSA123.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] carbamate
CID 69032775
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
CID 163507029
O-[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] 4-morpholin-4-ylbutanethioate
CID 58417034
[(3R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] N-[(3S)-1-methylpyrrolidin-3-yl]carbamate
CID 67428089
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]ethylcarbamic acid
CID 67396623
[(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]-(oxan-4-yl)carbamic acid
CID 118643888

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate?
The IUPAC name of [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate (CID 67420835) is [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate.
What is the SMILES notation for [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate?
The canonical SMILES for [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate is NC(=O)OC1CCN(c2ccc(C(=O)Nc3ccccc3N)cc2)[C@H]1Cc1ccoc1.
What is the InChIKey of [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate?
The InChIKey is QQGAPOUUPDZENL-BGERDNNASA-N. The full InChI is InChI=1S/C23H24N4O4/c24-18-3-1-2-4-19(18)26-22(28)16-5-7-17(8-6-16)27-11-9-21(31-23(25)29)20(27)13-15-10-12-30-14-15/h1-8,10,12,14,20-21H,9,11,13,24H2,(H2,25,29)(H,26,28)/t20-,21?/m0/s1.
What are the key properties of [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate?
[(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate has a molecular weight of 420.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-(furan-3-ylmethyl)pyrrolidin-3-yl] carbamate is sourced from PubChem (CID 67420835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).