N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide

C16H21N5O — CID 30047811

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C16H21N5O/c1-11(2)6-9-15(22)17-13-5-3-4-12(10-13)16-18-19-20-21(16)14-7-8-14/h3-5,10-11,14H,6-9H2,1-2H3,(H,17,22)
InChIKeyYJUOIMWIDVKOOP-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.05
Rot. Bonds6

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide (PubChem CID 30047811) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
PubChem CID30047811
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C16H21N5O/c1-11(2)6-9-15(22)17-13-5-3-4-12(10-13)16-18-19-20-21(16)14-7-8-14/h3-5,10-11,14H,6-9H2,1-2H3,(H,17,22)
InChIKeyYJUOIMWIDVKOOP-UHFFFAOYSA-N
XLogP3.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 41293386
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 41181805
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
CID 17455277
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluorophenoxy)propanamide
CID 39675295
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide (CID 30047811) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide?
The InChIKey is YJUOIMWIDVKOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11(2)6-9-15(22)17-13-5-3-4-12(10-13)16-18-19-20-21(16)14-7-8-14/h3-5,10-11,14H,6-9H2,1-2H3,(H,17,22).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide has a molecular weight of 299.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 30047811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).