tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate

C14H18Cl2N2O3 — CID 52778263

IUPACtert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-14(2,3)21-13(20)18-5-4-17-12(19)9-6-10(15)8-11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyGWCPNSNRPPTUND-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.25
Rot. Bonds4

About tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate

tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate (PubChem CID 52778263) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
PubChem CID52778263
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Nametert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-14(2,3)21-13(20)18-5-4-17-12(19)9-6-10(15)8-11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyGWCPNSNRPPTUND-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[3-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]benzoyl]amino]ethyl]carbamate
CID 144646246
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
tert-butyl N-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 52778261
3,5-dichloro-N-propylbenzamide
CID 2767298
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-[(6-chloropyrimidine-4-carbonyl)amino]ethyl]carbamate
CID 153127652
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374
N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide
CID 2346188
tert-butyl N-[2-[(3,5-dimethoxy-4-prop-2-ynoxybenzoyl)amino]ethyl]carbamate
CID 175868125
methyl 2-(3,5-dichlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 146446095
tert-butyl N-(2-hydroxyethyl)carbamate;1-chloro-4-methylbenzene
CID 145267915

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate (CID 52778263) is tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate?
The InChIKey is GWCPNSNRPPTUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-14(2,3)21-13(20)18-5-4-17-12(19)9-6-10(15)8-11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate has a molecular weight of 333.22 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 52778263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).