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

C24H34N6O4 — CID 649690

IUPACN-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C24H34N6O4/c1-16(24(32)25-18-8-4-5-9-18)30(19-10-6-7-11-19)22(31)15-29-27-23(26-28-29)17-12-13-20(33-2)21(14-17)34-3/h12-14,16,18-19H,4-11,15H2,1-3H3,(H,25,32)
InChIKeyLTUBSFDORHBQDN-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.58
Rot. Bonds9

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

N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide (PubChem CID 649690) has the molecular formula C24H34N6O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
PubChem CID649690
Molecular FormulaC24H34N6O4
Molecular Weight470.57 g/mol
Exact Mass470.26
IUPAC NameN-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C24H34N6O4/c1-16(24(32)25-18-8-4-5-9-18)30(19-10-6-7-11-19)22(31)15-29-27-23(26-28-29)17-12-13-20(33-2)21(14-17)34-3/h12-14,16,18-19H,4-11,15H2,1-3H3,(H,25,32)
InChIKeyLTUBSFDORHBQDN-UHFFFAOYSA-N
XLogP2.58
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 53393835
CID 53393835
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-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
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
N-Cyclopentyl-2-({2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-propionamide
CID 649747
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide (CID 649690) is N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide is COc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide?
The InChIKey is LTUBSFDORHBQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O4/c1-16(24(32)25-18-8-4-5-9-18)30(19-10-6-7-11-19)22(31)15-29-27-23(26-28-29)17-12-13-20(33-2)21(14-17)34-3/h12-14,16,18-19H,4-11,15H2,1-3H3,(H,25,32).
What are the key properties of N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide?
N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide has a molecular weight of 470.57 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide is sourced from PubChem (CID 649690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).