N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide

C15H19N5O2 — CID 51222719

IUPACN-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCCOCC1CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H19N5O2/c21-15(16-7-2-8-22-10-12-5-6-12)13-3-1-4-14(9-13)20-11-17-18-19-20/h1,3-4,9,11-12H,2,5-8,10H2,(H,16,21)
InChIKeyVXPDRHXEPKRXIA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.21
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide

N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 51222719) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
PubChem CID51222719
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCCOCC1CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H19N5O2/c21-15(16-7-2-8-22-10-12-5-6-12)13-3-1-4-14(9-13)20-11-17-18-19-20/h1,3-4,9,11-12H,2,5-8,10H2,(H,16,21)
InChIKeyVXPDRHXEPKRXIA-UHFFFAOYSA-N
XLogP1.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.21
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-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
CID 18120950
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91822812
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide (CID 51222719) is N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide is O=C(NCCCOCC1CC1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is VXPDRHXEPKRXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(16-7-2-8-22-10-12-5-6-12)13-3-1-4-14(9-13)20-11-17-18-19-20/h1,3-4,9,11-12H,2,5-8,10H2,(H,16,21).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide?
N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51222719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).