(2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide

C15H21N5O2 — CID 94027742

IUPAC(2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCOc1cccc(C[C@@H](C(=O)NC(C)C)n2nnnc2C)c1
InChIInChI=1S/C15H21N5O2/c1-10(2)16-15(21)14(20-11(3)17-18-19-20)9-12-6-5-7-13(8-12)22-4/h5-8,10,14H,9H2,1-4H3,(H,16,21)/t14-/m0/s1
InChIKeyDDUAYQGSRSVOJD-AWEZNQCLSA-N
MW303.37 g/mol
LogP1.30
Rot. Bonds6

About (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide

(2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 94027742) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide
PubChem CID94027742
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCOc1cccc(C[C@@H](C(=O)NC(C)C)n2nnnc2C)c1
InChIInChI=1S/C15H21N5O2/c1-10(2)16-15(21)14(20-11(3)17-18-19-20)9-12-6-5-7-13(8-12)22-4/h5-8,10,14H,9H2,1-4H3,(H,16,21)/t14-/m0/s1
InChIKeyDDUAYQGSRSVOJD-AWEZNQCLSA-N
XLogP1.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 47040948
ethyl 1-[3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-3-carboxylate
CID 47038973
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
3-[5-(3-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66045312
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970829
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
CID 119642838
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78879461

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide (CID 94027742) is (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide is COc1cccc(C[C@@H](C(=O)NC(C)C)n2nnnc2C)c1.
What is the InChIKey of (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is DDUAYQGSRSVOJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)16-15(21)14(20-11(3)17-18-19-20)9-12-6-5-7-13(8-12)22-4/h5-8,10,14H,9H2,1-4H3,(H,16,21)/t14-/m0/s1.
What are the key properties of (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide?
(2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 303.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 94027742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).