4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide

C20H29N7O2 — CID 166335317

IUPAC4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide
SMILESCCCNc1ccc(C(N)=O)cc1NC(=O)CC1(Cn2cnnn2)CCCCC1
InChIInChI=1S/C20H29N7O2/c1-2-10-22-16-7-6-15(19(21)29)11-17(16)24-18(28)12-20(8-4-3-5-9-20)13-27-14-23-25-26-27/h6-7,11,14,22H,2-5,8-10,12-13H2,1H3,(H2,21,29)(H,24,28)
InChIKeyBGUPZMDUKYIAJS-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.57
Rot. Bonds9

About 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide

4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide (PubChem CID 166335317) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide
PubChem CID166335317
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide
SMILESCCCNc1ccc(C(N)=O)cc1NC(=O)CC1(Cn2cnnn2)CCCCC1
InChIInChI=1S/C20H29N7O2/c1-2-10-22-16-7-6-15(19(21)29)11-17(16)24-18(28)12-20(8-4-3-5-9-20)13-27-14-23-25-26-27/h6-7,11,14,22H,2-5,8-10,12-13H2,1H3,(H2,21,29)(H,24,28)
InChIKeyBGUPZMDUKYIAJS-UHFFFAOYSA-N
XLogP2.57
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048991
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048716
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431787
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 71709629
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 121239339
N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51049242
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431329
N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125433760
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431018
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 128962947
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide?
The IUPAC name of 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide (CID 166335317) is 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide.
What is the SMILES notation for 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide?
The canonical SMILES for 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide is CCCNc1ccc(C(N)=O)cc1NC(=O)CC1(Cn2cnnn2)CCCCC1.
What is the InChIKey of 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide?
The InChIKey is BGUPZMDUKYIAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-2-10-22-16-7-6-15(19(21)29)11-17(16)24-18(28)12-20(8-4-3-5-9-20)13-27-14-23-25-26-27/h6-7,11,14,22H,2-5,8-10,12-13H2,1H3,(H2,21,29)(H,24,28).
What are the key properties of 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide?
4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide has a molecular weight of 399.50 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-3-[[2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetyl]amino]benzamide is sourced from PubChem (CID 166335317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).