2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide

C25H29ClN6O3 — CID 3179880

IUPAC2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide
SMILESCOc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H29ClN6O3/c1-16-8-13-22(35-3)21(14-16)32(17(2)25(34)27-20-6-4-5-7-20)23(33)15-31-29-24(28-30-31)18-9-11-19(26)12-10-18/h8-14,17,20H,4-7,15H2,1-3H3,(H,27,34)
InChIKeyPBAUHMWKQWQQQT-UHFFFAOYSA-N
MW497.00 g/mol
LogP3.79
Rot. Bonds8

About 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide

2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide (PubChem CID 3179880) has the molecular formula C25H29ClN6O3 and a molecular weight of 497.00 g/mol. Its IUPAC name is 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide
PubChem CID3179880
Molecular FormulaC25H29ClN6O3
Molecular Weight497.00 g/mol
Exact Mass496.20
IUPAC Name2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide
SMILESCOc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H29ClN6O3/c1-16-8-13-22(35-3)21(14-16)32(17(2)25(34)27-20-6-4-5-7-20)23(33)15-31-29-24(28-30-31)18-9-11-19(26)12-10-18/h8-14,17,20H,4-7,15H2,1-3H3,(H,27,34)
InChIKeyPBAUHMWKQWQQQT-UHFFFAOYSA-N
XLogP3.79
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide
CID 23741250
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)propanamide
CID 3179859
2-(3-chloro-4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpropanamide
CID 3179866
(2R)-N-cyclopentyl-2-[(2-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 5438576
(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-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
CID 25446400
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
CID 40592877
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-fluoroanilino)-N-cyclohexyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 3180684
2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 3179828

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide?
The IUPAC name of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide (CID 3179880) is 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide is COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide?
The InChIKey is PBAUHMWKQWQQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O3/c1-16-8-13-22(35-3)21(14-16)32(17(2)25(34)27-20-6-4-5-7-20)23(33)15-31-29-24(28-30-31)18-9-11-19(26)12-10-18/h8-14,17,20H,4-7,15H2,1-3H3,(H,27,34).
What are the key properties of 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide?
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide has a molecular weight of 497.00 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 3179880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).