(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide

C26H38N6O4 — CID 40620777

IUPAC(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
SMILESCC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1
InChIInChI=1S/C26H38N6O4/c1-4-21(26(34)27-19-10-8-9-11-19)32(20-12-6-5-7-13-20)24(33)17-31-29-25(28-30-31)18-14-15-22(35-2)23(16-18)36-3/h14-16,19-21H,4-13,17H2,1-3H3,(H,27,34)/t21-/m0/s1
InChIKeyOEZIMPJNTXNEPX-NRFANRHFSA-N
MW498.63 g/mol
LogP3.36
Rot. Bonds10

About (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide

(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide (PubChem CID 40620777) has the molecular formula C26H38N6O4 and a molecular weight of 498.63 g/mol. Its IUPAC name is (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
PubChem CID40620777
Molecular FormulaC26H38N6O4
Molecular Weight498.63 g/mol
Exact Mass498.30
IUPAC Name(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
SMILESCC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1
InChIInChI=1S/C26H38N6O4/c1-4-21(26(34)27-19-10-8-9-11-19)32(20-12-6-5-7-13-20)24(33)17-31-29-25(28-30-31)18-14-15-22(35-2)23(16-18)36-3/h14-16,19-21H,4-13,17H2,1-3H3,(H,27,34)/t21-/m0/s1
InChIKeyOEZIMPJNTXNEPX-NRFANRHFSA-N
XLogP3.36
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide with MolForge

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Related Compounds

N-cyclohexyl-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 56604863
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 98090820
(2S)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methylanilino)butanamide
CID 1153766
2-[benzyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 3179898
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 40631846
N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide
CID 3178778
N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 3600221
2-[tert-butyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide
CID 3179981
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
CID 3179913
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 23795781
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)pentanamide
CID 40620489
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
CID 40592877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The IUPAC name of (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide (CID 40620777) is (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide.
What is the SMILES notation for (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The canonical SMILES for (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide is CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1.
What is the InChIKey of (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The InChIKey is OEZIMPJNTXNEPX-NRFANRHFSA-N. The full InChI is InChI=1S/C26H38N6O4/c1-4-21(26(34)27-19-10-8-9-11-19)32(20-12-6-5-7-13-20)24(33)17-31-29-25(28-30-31)18-14-15-22(35-2)23(16-18)36-3/h14-16,19-21H,4-13,17H2,1-3H3,(H,27,34)/t21-/m0/s1.
What are the key properties of (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide has a molecular weight of 498.63 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 40620777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).