tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate

C18H27ClN2O3 — CID 20814870

IUPACtert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCC(C)CC(CNC(=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H27ClN2O3/c1-12(2)10-15(21-17(23)24-18(3,4)5)11-20-16(22)13-6-8-14(19)9-7-13/h6-9,12,15H,10-11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyGKKZDNKEWPTOJQ-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.01
Rot. Bonds6

About tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate

tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate (PubChem CID 20814870) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
PubChem CID20814870
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Nametert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCC(C)CC(CNC(=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H27ClN2O3/c1-12(2)10-15(21-17(23)24-18(3,4)5)11-20-16(22)13-6-8-14(19)9-7-13/h6-9,12,15H,10-11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyGKKZDNKEWPTOJQ-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
CID 110288491
N-(2-bromo-4-methylpentyl)-4-chlorobenzamide
CID 107157900
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
tert-butyl N-[1-bis(4-chlorophenyl)phosphoryl-1-hydroxy-4-methylpentan-2-yl]carbamate
CID 19040300
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate
CID 110627490
tert-butyl N-[(2S)-4-methyl-1-(3-phenoxypropanoylamino)pentan-2-yl]carbamate
CID 110288498
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate (CID 20814870) is tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate is CC(C)CC(CNC(=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is GKKZDNKEWPTOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-12(2)10-15(21-17(23)24-18(3,4)5)11-20-16(22)13-6-8-14(19)9-7-13/h6-9,12,15H,10-11H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 354.88 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 20814870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).