2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide

C14H17NO2 — CID 167135250

IUPAC2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide
SMILESC#C[C@@H](NC(=O)c1ccccc1OC)C(C)C
InChIInChI=1S/C14H17NO2/c1-5-12(10(2)3)15-14(16)11-8-6-7-9-13(11)17-4/h1,6-10,12H,2-4H3,(H,15,16)/t12-/m1/s1
InChIKeySRNZPAYTWAYXMN-GFCCVEGCSA-N
MW231.30 g/mol
LogP2.08
Rot. Bonds4

About 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide

2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide (PubChem CID 167135250) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide
PubChem CID167135250
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide
SMILESC#C[C@@H](NC(=O)c1ccccc1OC)C(C)C
InChIInChI=1S/C14H17NO2/c1-5-12(10(2)3)15-14(16)11-8-6-7-9-13(11)17-4/h1,6-10,12H,2-4H3,(H,15,16)/t12-/m1/s1
InChIKeySRNZPAYTWAYXMN-GFCCVEGCSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-butan-2-yl-2-methoxybenzamide
CID 3117660
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
2-methoxy-N-[1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46745823
N-(1-amino-1-oxopent-4-yn-2-yl)-2-methoxybenzamide
CID 75433492
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847975
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-3-methoxybenzamide
CID 171385160
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide (CID 167135250) is 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide is C#C[C@@H](NC(=O)c1ccccc1OC)C(C)C.
What is the InChIKey of 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide?
The InChIKey is SRNZPAYTWAYXMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO2/c1-5-12(10(2)3)15-14(16)11-8-6-7-9-13(11)17-4/h1,6-10,12H,2-4H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide?
2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide has a molecular weight of 231.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide is sourced from PubChem (CID 167135250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).