N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C15H21N5O2 — CID 109479307

IUPACN-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCC(CCO)NC(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C15H21N5O2/c1-2-13(8-9-21)17-15(22)14(20-11-16-18-19-20)10-12-6-4-3-5-7-12/h3-7,11,13-14,21H,2,8-10H2,1H3,(H,17,22)
InChIKeyVMCILWAOKOTRSQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.73
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide

N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 109479307) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID109479307
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCC(CCO)NC(=O)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C15H21N5O2/c1-2-13(8-9-21)17-15(22)14(20-11-16-18-19-20)10-12-6-4-3-5-7-12/h3-7,11,13-14,21H,2,8-10H2,1H3,(H,17,22)
InChIKeyVMCILWAOKOTRSQ-UHFFFAOYSA-N
XLogP0.73
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51231474
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
(2R)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 35254900
N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51078054
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 124860255
(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124851461
(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 109479307) is N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide is CCC(CCO)NC(=O)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is VMCILWAOKOTRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-13(8-9-21)17-15(22)14(20-11-16-18-19-20)10-12-6-4-3-5-7-12/h3-7,11,13-14,21H,2,8-10H2,1H3,(H,17,22).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 303.37 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 109479307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).