ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate

C18H24ClN3O3 — CID 55934184

IUPACethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1[nH]c2ccccc2c1Cl)CC(C)C
InChIInChI=1S/C18H24ClN3O3/c1-4-25-18(24)21-12(9-11(2)3)10-20-17(23)16-15(19)13-7-5-6-8-14(13)22-16/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyJGWJZRHXZVAIIV-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.71
Rot. Bonds7

About ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate (PubChem CID 55934184) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
PubChem CID55934184
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Nameethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1[nH]c2ccccc2c1Cl)CC(C)C
InChIInChI=1S/C18H24ClN3O3/c1-4-25-18(24)21-12(9-11(2)3)10-20-17(23)16-15(19)13-7-5-6-8-14(13)22-16/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyJGWJZRHXZVAIIV-UHFFFAOYSA-N
XLogP3.71
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959669
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668
ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate
CID 97029173
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
CID 55654735
ethyl N-[(2S)-1-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentan-2-yl]carbamate
CID 94104609
ethyl N-[1-[(2-chloro-4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959646
ethyl N-[1-[(3-ethylthiophene-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 60566688

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate (CID 55934184) is ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1[nH]c2ccccc2c1Cl)CC(C)C.
What is the InChIKey of ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is JGWJZRHXZVAIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-4-25-18(24)21-12(9-11(2)3)10-20-17(23)16-15(19)13-7-5-6-8-14(13)22-16/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 365.86 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 55934184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).