N-(2-methoxy-4-propan-2-ylphenyl)propanamide

C13H19NO2 — CID 110777573

IUPACN-(2-methoxy-4-propan-2-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(C(C)C)cc1OC
InChIInChI=1S/C13H19NO2/c1-5-13(15)14-11-7-6-10(9(2)3)8-12(11)16-4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyIRPLWFNBIGOZGR-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.17
Rot. Bonds4

About N-(2-methoxy-4-propan-2-ylphenyl)propanamide

N-(2-methoxy-4-propan-2-ylphenyl)propanamide (PubChem CID 110777573) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxy-4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-4-propan-2-ylphenyl)propanamide
PubChem CID110777573
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-methoxy-4-propan-2-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(C(C)C)cc1OC
InChIInChI=1S/C13H19NO2/c1-5-13(15)14-11-7-6-10(9(2)3)8-12(11)16-4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyIRPLWFNBIGOZGR-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
CID 115188135
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
2-hydroxy-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115139566
(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
2-(ethylamino)-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115157667
1-amino-N-(2-methoxy-4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 115189608
N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
4-(2-methoxy-4-propan-2-ylanilino)-2-methylbutanoic acid
CID 115220531
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323922

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(2-methoxy-4-propan-2-ylphenyl)propanamide (CID 110777573) is N-(2-methoxy-4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(2-methoxy-4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(2-methoxy-4-propan-2-ylphenyl)propanamide is CCC(=O)Nc1ccc(C(C)C)cc1OC.
What is the InChIKey of N-(2-methoxy-4-propan-2-ylphenyl)propanamide?
The InChIKey is IRPLWFNBIGOZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(15)14-11-7-6-10(9(2)3)8-12(11)16-4/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(2-methoxy-4-propan-2-ylphenyl)propanamide?
N-(2-methoxy-4-propan-2-ylphenyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 110777573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).