(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide

C17H23N5O — CID 97319224

IUPAC(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCC1CC(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H23N5O/c1-11(2)15(17(23)18-14-9-12(3)10-14)22-20-16(19-21-22)13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3,(H,18,23)/t12?,14?,15-/m0/s1
InChIKeyJHRGYRCUDMWDRU-ZALBZXLWSA-N
MW313.40 g/mol
LogP2.45
Rot. Bonds5

About (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide

(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 97319224) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
PubChem CID97319224
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCC1CC(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H23N5O/c1-11(2)15(17(23)18-14-9-12(3)10-14)22-20-16(19-21-22)13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3,(H,18,23)/t12?,14?,15-/m0/s1
InChIKeyJHRGYRCUDMWDRU-ZALBZXLWSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(5-phenyltetrazol-2-yl)-N-piperidin-4-ylbutanamide
CID 119386255
3-methyl-N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)butanamide;hydrochloride
CID 120600412
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868
5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 122119830
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 111333121
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
N-(2-chloro-4-fluorophenyl)-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 60564561
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)butanamide
CID 60567231

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide (CID 97319224) is (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide is CC1CC(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)C1.
What is the InChIKey of (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is JHRGYRCUDMWDRU-ZALBZXLWSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11(2)15(17(23)18-14-9-12(3)10-14)22-20-16(19-21-22)13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3,(H,18,23)/t12?,14?,15-/m0/s1.
What are the key properties of (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide?
(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 97319224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).