pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate

C18H20N4O3 — CID 67430633

IUPACpyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)OC2CCNC2)cc1
InChIInChI=1S/C18H20N4O3/c19-15-3-1-2-4-16(15)22-17(23)12-5-7-13(8-6-12)21-18(24)25-14-9-10-20-11-14/h1-8,14,20H,9-11,19H2,(H,21,24)(H,22,23)
InChIKeyNEMWRNGIQRVSEI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.43
Rot. Bonds4

About pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate

pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate (PubChem CID 67430633) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namepyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
PubChem CID67430633
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namepyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)OC2CCNC2)cc1
InChIInChI=1S/C18H20N4O3/c19-15-3-1-2-4-16(15)22-17(23)12-5-7-13(8-6-12)21-18(24)25-14-9-10-20-11-14/h1-8,14,20H,9-11,19H2,(H,21,24)(H,22,23)
InChIKeyNEMWRNGIQRVSEI-UHFFFAOYSA-N
XLogP2.43
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[[(3S)-pyrrolidin-3-yl]amino]benzamide;methane
CID 160904181
[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate
CID 91454115
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565228
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 102467936
[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] carbamate
CID 69032775
piperidin-4-yl N-(2-chlorophenyl)carbamate
CID 20735403
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
piperidin-4-yl 4-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 91645336

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate (CID 67430633) is pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate is Nc1ccccc1NC(=O)c1ccc(NC(=O)OC2CCNC2)cc1.
What is the InChIKey of pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate?
The InChIKey is NEMWRNGIQRVSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-15-3-1-2-4-16(15)22-17(23)12-5-7-13(8-6-12)21-18(24)25-14-9-10-20-11-14/h1-8,14,20H,9-11,19H2,(H,21,24)(H,22,23).
What are the key properties of pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate?
pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate has a molecular weight of 340.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 67430633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).