methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate

C22H31ClN4O4 — CID 89026730

IUPACmethyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCN1CC(Cl)c2ccc(CN(C(=O)C3CNCCO3)C3CC3)cc21
InChIInChI=1S/C22H31ClN4O4/c1-30-22(29)25-7-2-9-26-14-18(23)17-6-3-15(11-19(17)26)13-27(16-4-5-16)21(28)20-12-24-8-10-31-20/h3,6,11,16,18,20,24H,2,4-5,7-10,12-14H2,1H3,(H,25,29)
InChIKeyDOPRLTBDHONXPW-UHFFFAOYSA-N
MW450.97 g/mol
LogP2.01
Rot. Bonds8

About methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate

methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate (PubChem CID 89026730) has the molecular formula C22H31ClN4O4 and a molecular weight of 450.97 g/mol. Its IUPAC name is methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate
PubChem CID89026730
Molecular FormulaC22H31ClN4O4
Molecular Weight450.97 g/mol
Exact Mass450.20
IUPAC Namemethyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCN1CC(Cl)c2ccc(CN(C(=O)C3CNCCO3)C3CC3)cc21
InChIInChI=1S/C22H31ClN4O4/c1-30-22(29)25-7-2-9-26-14-18(23)17-6-3-15(11-19(17)26)13-27(16-4-5-16)21(28)20-12-24-8-10-31-20/h3,6,11,16,18,20,24H,2,4-5,7-10,12-14H2,1H3,(H,25,29)
InChIKeyDOPRLTBDHONXPW-UHFFFAOYSA-N
XLogP2.01
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494659
(2R)-N-[[1-(2-acetamidoethyl)-4-chloro-3-methylindol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494305
N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119715128
(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
CID 59494191
methyl N-[3-[2-(4-chlorophenyl)-4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]imidazol-1-yl]propyl]carbamate
CID 118313147
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(4-methylphenyl)imidazol-1-yl]propyl]carbamate
CID 118313141
(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 67543478
methyl N-[3-[5-[1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-pyridin-3-ylthiophen-2-yl]propyl]carbamate
CID 118313850
(2R)-N-[(4-butoxy-8-chloro-3,4-dihydroquinolin-2-yl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 126583160
N-[[4-(chloromethyl)-3-[ethenyl-(4-oxo-4-pyrrolidin-1-ylbutyl)amino]phenyl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 126583020
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
CID 118313239
methyl N-[3-[5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(3-fluoro-2-hydroxyphenyl)thiophen-3-yl]propyl]carbamate
CID 90065299

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate (CID 89026730) is methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate is COC(=O)NCCCN1CC(Cl)c2ccc(CN(C(=O)C3CNCCO3)C3CC3)cc21.
What is the InChIKey of methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate?
The InChIKey is DOPRLTBDHONXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O4/c1-30-22(29)25-7-2-9-26-14-18(23)17-6-3-15(11-19(17)26)13-27(16-4-5-16)21(28)20-12-24-8-10-31-20/h3,6,11,16,18,20,24H,2,4-5,7-10,12-14H2,1H3,(H,25,29).
What are the key properties of methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate?
methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate has a molecular weight of 450.97 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-chloro-6-[[cyclopropyl(morpholine-2-carbonyl)amino]methyl]-2,3-dihydroindol-1-yl]propyl]carbamate is sourced from PubChem (CID 89026730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).