N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide

C17H21N7O3 — CID 167935083

IUPACN-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)NC(=O)C1CCC(NC(=O)Cc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C17H21N7O3/c18-17(27)21-16(26)12-3-5-13(6-4-12)20-15(25)9-11-1-7-14(8-2-11)24-10-19-22-23-24/h1-2,7-8,10,12-13H,3-6,9H2,(H,20,25)(H3,18,21,26,27)
InChIKeyGURAPPOJEHQZQY-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.07
Rot. Bonds5

About N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide

N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 167935083) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
PubChem CID167935083
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC NameN-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)NC(=O)C1CCC(NC(=O)Cc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C17H21N7O3/c18-17(27)21-16(26)12-3-5-13(6-4-12)20-15(25)9-11-1-7-14(8-2-11)24-10-19-22-23-24/h1-2,7-8,10,12-13H,3-6,9H2,(H,20,25)(H3,18,21,26,27)
InChIKeyGURAPPOJEHQZQY-UHFFFAOYSA-N
XLogP0.07
TPSA144.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 133138790
N-(2-amino-1-cyclohexylethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119591477
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95139320
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55847022
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 120548158
N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1455565
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96525299
N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94821745
N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 78858542
N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 120555808

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide (CID 167935083) is N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide is NC(=O)NC(=O)C1CCC(NC(=O)Cc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is GURAPPOJEHQZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c18-17(27)21-16(26)12-3-5-13(6-4-12)20-15(25)9-11-1-7-14(8-2-11)24-10-19-22-23-24/h1-2,7-8,10,12-13H,3-6,9H2,(H,20,25)(H3,18,21,26,27).
What are the key properties of N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide?
N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 167935083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).