2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate

C13H17ClN2O4 — CID 3115307

IUPAC2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
SMILESCC(C)OC(=O)NCCOC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O4/c1-9(2)20-12(17)15-7-8-19-13(18)16-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyOYGKZISHHKFFGI-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.02
Rot. Bonds5

About 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate

2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate (PubChem CID 3115307) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
PubChem CID3115307
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
SMILESCC(C)OC(=O)NCCOC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O4/c1-9(2)20-12(17)15-7-8-19-13(18)16-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyOYGKZISHHKFFGI-UHFFFAOYSA-N
XLogP3.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
propan-2-yl 2-[2-[(4-methoxyphenyl)carbamoyloxy]ethylamino]-2-oxoacetate
CID 4268048
2-(propan-2-yloxycarbonylamino)ethyl carbonochloridate
CID 14073059
6-[(4-chlorophenyl)carbamoyloxy]hexyl 2-methylbutanoate
CID 59366004
2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 3253612
[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110191719
(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
CID 11042957
2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
CID 79338343
2-acetamidoethyl N-(4-ethylphenyl)carbamate
CID 59778470
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate (CID 3115307) is 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate is CC(C)OC(=O)NCCOC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is OYGKZISHHKFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-9(2)20-12(17)15-7-8-19-13(18)16-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate?
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 300.74 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3115307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).