N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide

C22H28Cl2N6O2 — CID 53377417

IUPACN-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(Cl)c(Cl)c2)n1)C1CCCCC1)NC1CCCC1
InChIInChI=1S/C22H28Cl2N6O2/c23-18-11-10-15(12-19(18)24)22-26-28-30(27-22)14-21(32)29(17-8-2-1-3-9-17)13-20(31)25-16-6-4-5-7-16/h10-12,16-17H,1-9,13-14H2,(H,25,31)
InChIKeyWRLIZUDAUZNURW-UHFFFAOYSA-N
MW479.41 g/mol
LogP3.87
Rot. Bonds7

About N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide

N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide (PubChem CID 53377417) has the molecular formula C22H28Cl2N6O2 and a molecular weight of 479.41 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide
PubChem CID53377417
Molecular FormulaC22H28Cl2N6O2
Molecular Weight479.41 g/mol
Exact Mass478.17
IUPAC NameN-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(Cl)c(Cl)c2)n1)C1CCCCC1)NC1CCCC1
InChIInChI=1S/C22H28Cl2N6O2/c23-18-11-10-15(12-19(18)24)22-26-28-30(27-22)14-21(32)29(17-8-2-1-3-9-17)13-20(31)25-16-6-4-5-7-16/h10-12,16-17H,1-9,13-14H2,(H,25,31)
InChIKeyWRLIZUDAUZNURW-UHFFFAOYSA-N
XLogP3.87
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 23960420
N-cyclohexyl-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 56604863
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153910
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide
CID 155549507
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3767268
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 40620777
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 98090820
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3180571

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide (CID 53377417) is N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide is O=C(CN(C(=O)Cn1nnc(-c2ccc(Cl)c(Cl)c2)n1)C1CCCCC1)NC1CCCC1.
What is the InChIKey of N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is WRLIZUDAUZNURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N6O2/c23-18-11-10-15(12-19(18)24)22-26-28-30(27-22)14-21(32)29(17-8-2-1-3-9-17)13-20(31)25-16-6-4-5-7-16/h10-12,16-17H,1-9,13-14H2,(H,25,31).
What are the key properties of N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide?
N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 479.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 53377417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).