N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide

C19H20N6O2 — CID 46436898

IUPACN-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C19H20N6O2/c1-3-18(26)22-16-9-7-14(8-10-16)13(2)21-19(27)15-5-4-6-17(11-15)25-12-20-23-24-25/h4-13H,3H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyKAUBOINVMLHBNZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.50
Rot. Bonds6

About N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide

N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 46436898) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID46436898
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C19H20N6O2/c1-3-18(26)22-16-9-7-14(8-10-16)13(2)21-19(27)15-5-4-6-17(11-15)25-12-20-23-24-25/h4-13H,3H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyKAUBOINVMLHBNZ-UHFFFAOYSA-N
XLogP2.50
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
3-(tetrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709495
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 55434284

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide (CID 46436898) is N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is KAUBOINVMLHBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-3-18(26)22-16-9-7-14(8-10-16)13(2)21-19(27)15-5-4-6-17(11-15)25-12-20-23-24-25/h4-13H,3H2,1-2H3,(H,21,27)(H,22,26).
What are the key properties of N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide?
N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46436898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).