2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

C19H25ClN6O4 — CID 3944840

IUPAC2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCOCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C19H25ClN6O4/c1-29-13-16(27)22-19(9-3-2-4-10-19)17-23-24-25-26(17)11-12-30-18(28)21-15-7-5-14(20)6-8-15/h5-8H,2-4,9-13H2,1H3,(H,21,28)(H,22,27)
InChIKeyIAVWDVPKXDAVAW-UHFFFAOYSA-N
MW436.90 g/mol
LogP2.50
Rot. Bonds8

About 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 3944840) has the molecular formula C19H25ClN6O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID3944840
Molecular FormulaC19H25ClN6O4
Molecular Weight436.90 g/mol
Exact Mass436.16
IUPAC Name2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCOCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C19H25ClN6O4/c1-29-13-16(27)22-19(9-3-2-4-10-19)17-23-24-25-26(17)11-12-30-18(28)21-15-7-5-14(20)6-8-15/h5-8H,2-4,9-13H2,1H3,(H,21,28)(H,22,27)
InChIKeyIAVWDVPKXDAVAW-UHFFFAOYSA-N
XLogP2.50
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 3944840) is 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is COCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is IAVWDVPKXDAVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O4/c1-29-13-16(27)22-19(9-3-2-4-10-19)17-23-24-25-26(17)11-12-30-18(28)21-15-7-5-14(20)6-8-15/h5-8H,2-4,9-13H2,1H3,(H,21,28)(H,22,27).
What are the key properties of 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 436.90 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(2-methoxyacetyl)amino]cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3944840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).