N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide

C15H23NO3 — CID 100789348

IUPACN-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
SMILESCC[C@H](C)NC(=O)CCc1c(OC)cccc1OC
InChIInChI=1S/C15H23NO3/c1-5-11(2)16-15(17)10-9-12-13(18-3)7-6-8-14(12)19-4/h6-8,11H,5,9-10H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyOVPFAAKANVCMRO-NSHDSACASA-N
MW265.35 g/mol
LogP2.55
Rot. Bonds7

About N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide

N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide (PubChem CID 100789348) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
PubChem CID100789348
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
SMILESCC[C@H](C)NC(=O)CCc1c(OC)cccc1OC
InChIInChI=1S/C15H23NO3/c1-5-11(2)16-15(17)10-9-12-13(18-3)7-6-8-14(12)19-4/h6-8,11H,5,9-10H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyOVPFAAKANVCMRO-NSHDSACASA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethoxyphenyl)-N-ethylpropanamide
CID 100789335
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133225046
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
3-[[2-(2,6-dimethoxyphenyl)acetyl]amino]butanoic acid
CID 119347863
3-(2,6-dimethoxyphenyl)-N-(4-ethylphenyl)propanamide
CID 100789404
N-butan-2-yl-2-methoxybenzamide
CID 3117660
3-(2,6-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 100789389

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide (CID 100789348) is N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide is CC[C@H](C)NC(=O)CCc1c(OC)cccc1OC.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide?
The InChIKey is OVPFAAKANVCMRO-NSHDSACASA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-11(2)16-15(17)10-9-12-13(18-3)7-6-8-14(12)19-4/h6-8,11H,5,9-10H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide?
N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide is sourced from PubChem (CID 100789348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).