2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide

C13H19NO2 — CID 94867704

IUPAC2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C13H19NO2/c1-9(2)10(3)14-13(15)11-7-5-6-8-12(11)16-4/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyAMEDTLRESGFYKJ-JTQLQIEISA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds4

About 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide

2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 94867704) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID94867704
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C13H19NO2/c1-9(2)10(3)14-13(15)11-7-5-6-8-12(11)16-4/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyAMEDTLRESGFYKJ-JTQLQIEISA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
2-methoxy-N-[(3S)-4-methylpent-1-yn-3-yl]benzamide
CID 167135250
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-butan-2-yl-2-methoxybenzamide
CID 3117660
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 94867704) is 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide is COc1ccccc1C(=O)N[C@@H](C)C(C)C.
What is the InChIKey of 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is AMEDTLRESGFYKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)10(3)14-13(15)11-7-5-6-8-12(11)16-4/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide?
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 94867704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).