2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide

C14H21NO2 — CID 112685779

IUPAC2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCOC(C)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)11(3)17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyMZZRXPOFZYJHJA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds5

About 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide

2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 112685779) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID112685779
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCOC(C)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)11(3)17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyMZZRXPOFZYJHJA-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 115588691
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
[1-oxo-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl] dihydrogen phosphate
CID 168729163
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
(E)-3-[4-[(2-methoxypropanoylamino)methyl]phenyl]prop-2-enoic acid
CID 113374831
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598174
6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
CID 65291164
N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 112685779) is 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide is COC(C)C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is MZZRXPOFZYJHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)11(3)17-4/h5-8,10-11H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide?
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 112685779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).