methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate

C20H24N4O3 — CID 71893155

IUPACmethyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)NCCCN2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N4O3/c1-27-20(26)23-17-9-7-16(8-10-17)22-19(25)21-12-4-13-24-14-11-15-5-2-3-6-18(15)24/h2-3,5-10H,4,11-14H2,1H3,(H,23,26)(H2,21,22,25)
InChIKeyTVYPZEZYLBZMKN-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.44
Rot. Bonds6

About methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate

methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate (PubChem CID 71893155) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
PubChem CID71893155
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Namemethyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)NCCCN2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N4O3/c1-27-20(26)23-17-9-7-16(8-10-17)22-19(25)21-12-4-13-24-14-11-15-5-2-3-6-18(15)24/h2-3,5-10H,4,11-14H2,1H3,(H,23,26)(H2,21,22,25)
InChIKeyTVYPZEZYLBZMKN-UHFFFAOYSA-N
XLogP3.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]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

1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 72864977
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 100678157
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-phenylthiourea
CID 100678118
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
5-[2-(2,3-dihydroindol-1-yl)ethylcarbamoylamino]-2-methoxy-N,N-dimethylbenzamide
CID 74248773
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
1-[2-(2,3-dihydroindol-1-yl)ethyl]-3-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)urea
CID 72901459
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate (CID 71893155) is methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)NCCCN2CCc3ccccc32)cc1.
What is the InChIKey of methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate?
The InChIKey is TVYPZEZYLBZMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-20(26)23-17-9-7-16(8-10-17)22-19(25)21-12-4-13-24-14-11-15-5-2-3-6-18(15)24/h2-3,5-10H,4,11-14H2,1H3,(H,23,26)(H2,21,22,25).
What are the key properties of methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate?
methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate has a molecular weight of 368.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate is sourced from PubChem (CID 71893155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).