propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate

C20H29N3O5 — CID 102301100

IUPACpropan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCC(C)CC1(N(NC(=O)OC(C)C)C(=O)OC(C)C)C(=O)Nc2ccccc21
InChIInChI=1S/C20H29N3O5/c1-12(2)11-20(15-9-7-8-10-16(15)21-17(20)24)23(19(26)28-14(5)6)22-18(25)27-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyJDRMVJMMZBDMDP-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.78
Rot. Bonds5

About propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate

propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate (PubChem CID 102301100) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
PubChem CID102301100
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Namepropan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCC(C)CC1(N(NC(=O)OC(C)C)C(=O)OC(C)C)C(=O)Nc2ccccc21
InChIInChI=1S/C20H29N3O5/c1-12(2)11-20(15-9-7-8-10-16(15)21-17(20)24)23(19(26)28-14(5)6)22-18(25)27-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyJDRMVJMMZBDMDP-UHFFFAOYSA-N
XLogP3.78
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-[3-(3-methylbutyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 102301101
propan-2-yl N-[(3S)-3-[(4-methylphenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 101490760
propan-2-yl N-[3-(3-methylbut-2-enyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 44556761
propan-2-yl N-[(3S)-3-[(2-methoxyphenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 101490764
propan-2-yl N-(3-benzyl-5-methoxy-2-oxo-1H-indol-3-yl)-N-(propan-2-yloxycarbonylamino)carbamate
CID 102301096
dipropan-2-yl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3282502
3,3-bis(2-hydroxy-5-propan-2-yloxyphenyl)-1H-indol-2-one
CID 90080203
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-oxo-3-phenylmethoxy-1H-indol-3-yl)carbamate
CID 135027349
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
5-O'-(2-methoxyethyl) 3-O'-propan-2-yl (3S)-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 7046187
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoate
CID 14903574
[4-[2-oxo-3-(4-propanoyloxyphenyl)-1H-indol-3-yl]phenyl] propanoate
CID 170900337

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The IUPAC name of propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate (CID 102301100) is propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate.
What is the SMILES notation for propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The canonical SMILES for propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate is CC(C)CC1(N(NC(=O)OC(C)C)C(=O)OC(C)C)C(=O)Nc2ccccc21.
What is the InChIKey of propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The InChIKey is JDRMVJMMZBDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-12(2)11-20(15-9-7-8-10-16(15)21-17(20)24)23(19(26)28-14(5)6)22-18(25)27-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,21,24)(H,22,25).
What are the key properties of propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate has a molecular weight of 391.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-(2-methylpropyl)-2-oxo-1H-indol-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate is sourced from PubChem (CID 102301100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).