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

C23H32N6O4 — CID 53347986

IUPAC2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CC3)n2)cc1OC
InChIInChI=1S/C23H32N6O4/c1-15(23(31)24-17-10-11-17)29(18-7-5-4-6-8-18)21(30)14-28-26-22(25-27-28)16-9-12-19(32-2)20(13-16)33-3/h9,12-13,15,17-18H,4-8,10-11,14H2,1-3H3,(H,24,31)
InChIKeyWDRJZVAORNSMHB-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.19
Rot. Bonds9

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

2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide (PubChem CID 53347986) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
PubChem CID53347986
Molecular FormulaC23H32N6O4
Molecular Weight456.55 g/mol
Exact Mass456.25
IUPAC Name2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CC3)n2)cc1OC
InChIInChI=1S/C23H32N6O4/c1-15(23(31)24-17-10-11-17)29(18-7-5-4-6-8-18)21(30)14-28-26-22(25-27-28)16-9-12-19(32-2)20(13-16)33-3/h9,12-13,15,17-18H,4-8,10-11,14H2,1-3H3,(H,24,31)
InChIKeyWDRJZVAORNSMHB-UHFFFAOYSA-N
XLogP2.19
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 53393835
CID 53393835
N-Cyclopentyl-2-(cyclopentyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 649690
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
Cjd-hdl-113-2
CID 53262912
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 53347981
2-[cyclohexyl-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347995
2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-(oxan-4-yl)amino]-N-cyclopentylpropanamide
CID 53377432
2-[cyclohexyl-[2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53377445
N-Benzo[1,3]dioxol-5-ylmethyl-2-(5-phenyl-tetrazol-2-yl)-acetamide
CID 648011
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571
2-(Cyclohexyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-butyramide
CID 654985

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide (CID 53347986) is 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide is COc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CC3)n2)cc1OC.
What is the InChIKey of 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide?
The InChIKey is WDRJZVAORNSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-15(23(31)24-17-10-11-17)29(18-7-5-4-6-8-18)21(30)14-28-26-22(25-27-28)16-9-12-19(32-2)20(13-16)33-3/h9,12-13,15,17-18H,4-8,10-11,14H2,1-3H3,(H,24,31).
What are the key properties of 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide?
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide has a molecular weight of 456.55 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 53347986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).