N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide

C14H18N6O2 — CID 91795241

IUPACN-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCNC(=O)C(NC(=O)CCn1nnnc1C)c1ccccc1
InChIInChI=1S/C14H18N6O2/c1-10-17-18-19-20(10)9-8-12(21)16-13(14(22)15-2)11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3,(H,15,22)(H,16,21)
InChIKeyUSKMWSFYHLKMIO-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.02
Rot. Bonds6

About N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 91795241) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID91795241
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCNC(=O)C(NC(=O)CCn1nnnc1C)c1ccccc1
InChIInChI=1S/C14H18N6O2/c1-10-17-18-19-20(10)9-8-12(21)16-13(14(22)15-2)11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3,(H,15,22)(H,16,21)
InChIKeyUSKMWSFYHLKMIO-UHFFFAOYSA-N
XLogP-0.02
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 131898891
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46960745
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91765018
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
3-methyl-N-[2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]butanamide
CID 56522069
3-amino-5-methyl-N-[2-[[2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-oxohexanamide
CID 70315104
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125165825
(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide
CID 97089947
3-(5-methyltetrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118788261

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 91795241) is N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide is CNC(=O)C(NC(=O)CCn1nnnc1C)c1ccccc1.
What is the InChIKey of N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is USKMWSFYHLKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10-17-18-19-20(10)9-8-12(21)16-13(14(22)15-2)11-6-4-3-5-7-11/h3-7,13H,8-9H2,1-2H3,(H,15,22)(H,16,21).
What are the key properties of N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 302.34 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 91795241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).