N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C24H28N6O3 — CID 655165

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C24H28N6O3/c1-17-10-12-18(13-11-17)24-26-28-30(27-24)16-23(32)29(20-8-5-9-21(14-20)33-2)15-22(31)25-19-6-3-4-7-19/h5,8-14,19H,3-4,6-7,15-16H2,1-2H3,(H,25,31)
InChIKeyCXGLSFLQANIMIU-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.75
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 655165) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID655165
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C24H28N6O3/c1-17-10-12-18(13-11-17)24-26-28-30(27-24)16-23(32)29(20-8-5-9-21(14-20)33-2)15-22(31)25-19-6-3-4-7-19/h5,8-14,19H,3-4,6-7,15-16H2,1-2H3,(H,25,31)
InChIKeyCXGLSFLQANIMIU-UHFFFAOYSA-N
XLogP2.75
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153910
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3180571
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3767268
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1153924
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3179728
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 1143452
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 23960420
(2S)-N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
CID 25448769
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 655165) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is COc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is CXGLSFLQANIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-17-10-12-18(13-11-17)24-26-28-30(27-24)16-23(32)29(20-8-5-9-21(14-20)33-2)15-22(31)25-19-6-3-4-7-19/h5,8-14,19H,3-4,6-7,15-16H2,1-2H3,(H,25,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 655165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).