N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide

C18H26N6O2 — CID 24795575

IUPACN,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide
SMILESCN(C)C(=O)n1nnc(CNC(=O)CCCCCCc2ccccc2)n1
InChIInChI=1S/C18H26N6O2/c1-23(2)18(26)24-21-16(20-22-24)14-19-17(25)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3,(H,19,25)
InChIKeyKZCWMVCKQDBOLK-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.01
Rot. Bonds9

About N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide

N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide (PubChem CID 24795575) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide
PubChem CID24795575
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide
SMILESCN(C)C(=O)n1nnc(CNC(=O)CCCCCCc2ccccc2)n1
InChIInChI=1S/C18H26N6O2/c1-23(2)18(26)24-21-16(20-22-24)14-19-17(25)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3,(H,19,25)
InChIKeyKZCWMVCKQDBOLK-UHFFFAOYSA-N
XLogP2.01
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Cyclopropyl-2-(2-dodecyl-2H-tetrazol-5-yl)-2-phenyl-acetamide
CID 10201700
N,N-Dimethyl-5-((7-phenylheptanamido)methyl)-1H-tetrazole-1-carboxamide
CID 24795721
N,N-Dimethyl-5-((7-phenyloctanamido)methyl)-1Htetrazole-1-carboxamide
CID 24795722
5-(biphenyl-3-ylcarboxamidomethyl)-N,N-dimethyl-2H-tetrazole-2-carboxamide
CID 24795723
5-(Biphenyl-4-ylcarboxamidomethyl)-N,N-dimethyl-2H-tetrazole-2-carboxamide
CID 24795854
N,N-dimethyl-5-((7-phenyloctanamido)methyl)-2H-tetrazole-2-carboxamide
CID 24796129
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide
CID 155545102
(2S)-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]-N-[(E,3S)-4-methyl-1-(2H-tetrazol-5-yl)pent-1-en-3-yl]butanamide
CID 11684466
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide
CID 164615313
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide
CID 164627685
3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 50948741
N-[(1R)-2-hydrazinyl-2-oxo-1-(2H-tetrazol-5-yl)ethyl]-5-phenylpentanamide
CID 145864179

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide (CID 24795575) is N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide is CN(C)C(=O)n1nnc(CNC(=O)CCCCCCc2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide?
The InChIKey is KZCWMVCKQDBOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-23(2)18(26)24-21-16(20-22-24)14-19-17(25)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3,(H,19,25).
What are the key properties of N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide?
N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(7-phenylheptanoylamino)methyl]tetrazole-2-carboxamide is sourced from PubChem (CID 24795575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).