N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide

C26H32N6O4 — CID 23741250

IUPACN-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C26H32N6O4/c1-17-8-7-11-21(14-17)32(18(2)26(34)27-20-9-5-6-10-20)24(33)16-31-29-25(28-30-31)19-12-13-22(35-3)23(15-19)36-4/h7-8,11-15,18,20H,5-6,9-10,16H2,1-4H3,(H,27,34)
InChIKeyACLDBTGOFFQSOP-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.15
Rot. Bonds9

About N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide

N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide (PubChem CID 23741250) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide
PubChem CID23741250
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC NameN-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C26H32N6O4/c1-17-8-7-11-21(14-17)32(18(2)26(34)27-20-9-5-6-10-20)24(33)16-31-29-25(28-30-31)19-12-13-22(35-3)23(15-19)36-4/h7-8,11-15,18,20H,5-6,9-10,16H2,1-4H3,(H,27,34)
InChIKeyACLDBTGOFFQSOP-UHFFFAOYSA-N
XLogP3.15
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)propanamide
CID 3179859
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide
CID 3179880
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
CID 40592877
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153910
(2S)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methylanilino)butanamide
CID 1153766
(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446231
N-cyclohexyl-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 56604863
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)pentanamide
CID 40620489
(2R)-N-cyclopentyl-2-[(2-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 5438576
(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
CID 25446400
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 98090820

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide?
The IUPAC name of N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide (CID 23741250) is N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide?
The canonical SMILES for N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide is COc1ccc(-c2nnn(CC(=O)N(c3cccc(C)c3)C(C)C(=O)NC3CCCC3)n2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide?
The InChIKey is ACLDBTGOFFQSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-17-8-7-11-21(14-17)32(18(2)26(34)27-20-9-5-6-10-20)24(33)16-31-29-25(28-30-31)19-12-13-22(35-3)23(15-19)36-4/h7-8,11-15,18,20H,5-6,9-10,16H2,1-4H3,(H,27,34).
What are the key properties of N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide?
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide has a molecular weight of 492.58 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide is sourced from PubChem (CID 23741250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).