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

C25H30N6O4 — CID 23960420

IUPACN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C25H30N6O4/c1-34-21-13-12-19(14-22(21)35-2)25-27-29-31(28-25)17-24(33)30(15-18-8-4-3-5-9-18)16-23(32)26-20-10-6-7-11-20/h3-5,8-9,12-14,20H,6-7,10-11,15-17H2,1-2H3,(H,26,32)
InChIKeyYBAWCHYLAITVCF-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.44
Rot. Bonds10

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

N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 23960420) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID23960420
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C25H30N6O4/c1-34-21-13-12-19(14-22(21)35-2)25-27-29-31(28-25)17-24(33)30(15-18-8-4-3-5-9-18)16-23(32)26-20-10-6-7-11-20/h3-5,8-9,12-14,20H,6-7,10-11,15-17H2,1-2H3,(H,26,32)
InChIKeyYBAWCHYLAITVCF-UHFFFAOYSA-N
XLogP2.44
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[benzyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 3179898
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153910
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
CID 40592877
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 1143452
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)pentanamide
CID 40620489
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3179728
N-cyclohexyl-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 56604863
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)propanamide
CID 3179859
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 40631846
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 40620777
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide
CID 23741250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide (CID 23960420) is N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide is COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)n2)cc1OC.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is YBAWCHYLAITVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-34-21-13-12-19(14-22(21)35-2)25-27-29-31(28-25)17-24(33)30(15-18-8-4-3-5-9-18)16-23(32)26-20-10-6-7-11-20/h3-5,8-9,12-14,20H,6-7,10-11,15-17H2,1-2H3,(H,26,32).
What are the key properties of N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 23960420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).