2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate

C14H20ClN3O3 — CID 153406093

IUPAC2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-14(2,3)18-13(20)21-9-8-16-12(19)17-11-7-5-4-6-10(11)15/h4-7H,8-9H2,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyDDROYFAXGQIXLN-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.99
Rot. Bonds4

About 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate

2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate (PubChem CID 153406093) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate
PubChem CID153406093
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-14(2,3)18-13(20)21-9-8-16-12(19)17-11-7-5-4-6-10(11)15/h4-7H,8-9H2,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyDDROYFAXGQIXLN-UHFFFAOYSA-N
XLogP2.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
2-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]ethyl N-tert-butylcarbamate
CID 90711748
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate (CID 153406093) is 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCNC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate?
The InChIKey is DDROYFAXGQIXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-14(2,3)18-13(20)21-9-8-16-12(19)17-11-7-5-4-6-10(11)15/h4-7H,8-9H2,1-3H3,(H,18,20)(H2,16,17,19).
What are the key properties of 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate?
2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate has a molecular weight of 313.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 153406093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).