2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate

C15H21ClN2O4 — CID 11186504

IUPAC2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate
SMILESCCCCCOC(=O)OCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O4/c1-2-3-4-9-21-15(20)22-10-8-17-14(19)18-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H2,17,18,19)
InChIKeyHUCSCNWGTSWSGS-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.80
Rot. Bonds8

About 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate

2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate (PubChem CID 11186504) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate
PubChem CID11186504
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate
SMILESCCCCCOC(=O)OCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O4/c1-2-3-4-9-21-15(20)22-10-8-17-14(19)18-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H2,17,18,19)
InChIKeyHUCSCNWGTSWSGS-UHFFFAOYSA-N
XLogP3.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.80
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

4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
Cambridge id 5628081
CID 234240
4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl ester
CID 11381825
1-(3-Chlorophenyl)-3-propylurea
CID 269028
1-(3,4-Dichloro-phenyl)-3-(2-vinyloxy-ethyl)-urea
CID 646703
(3-Chloro-phenyl)-carbamic acid 2-methoxycarbonylamino-1-methyl-ethyl ester
CID 647215
2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate
CID 658386
2-[(Ethoxycarbonyl)amino]ethyl 4-chlorophenylcarbamate
CID 16193210
[(4-chlorophenyl)amino]-N,N-bis(2-methoxyethyl)carboxamide
CID 304001
N-(3-chlorophenyl)-N'-isopropylurea
CID 232204
Heptanoic acid 2-[3-(3-chloro-phenyl)-ureido]-ethyl ester
CID 11381826

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate (CID 11186504) is 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate is CCCCCOC(=O)OCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate?
The InChIKey is HUCSCNWGTSWSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-2-3-4-9-21-15(20)22-10-8-17-14(19)18-13-7-5-6-12(16)11-13/h5-7,11H,2-4,8-10H2,1H3,(H2,17,18,19).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate?
2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate has a molecular weight of 328.80 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]ethyl pentyl carbonate is sourced from PubChem (CID 11186504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).