N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane

C16H25NO3 — CID 145481945

IUPACN-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane
SMILESCC1COC1.COc1ccc(N(C=O)CC(C)C)cc1
InChIInChI=1S/C12H17NO2.C4H8O/c1-10(2)8-13(9-14)11-4-6-12(15-3)7-5-11;1-4-2-5-3-4/h4-7,9-10H,8H2,1-3H3;4H,2-3H2,1H3
InChIKeyRULOMVAQRWOXIX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.97
Rot. Bonds5

About N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane

N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane (PubChem CID 145481945) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane
PubChem CID145481945
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane
SMILESCC1COC1.COc1ccc(N(C=O)CC(C)C)cc1
InChIInChI=1S/C12H17NO2.C4H8O/c1-10(2)8-13(9-14)11-4-6-12(15-3)7-5-11;1-4-2-5-3-4/h4-7,9-10H,8H2,1-3H3;4H,2-3H2,1H3
InChIKeyRULOMVAQRWOXIX-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-(4-methoxyphenyl)formamide
CID 2038996
N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 168868561
4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
CID 161278996
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532
4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 154621249
N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62554288
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
N'-(4-methoxyphenyl)-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745755
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66245647
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane?
The IUPAC name of N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane (CID 145481945) is N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane?
The canonical SMILES for N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane is CC1COC1.COc1ccc(N(C=O)CC(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane?
The InChIKey is RULOMVAQRWOXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C4H8O/c1-10(2)8-13(9-14)11-4-6-12(15-3)7-5-11;1-4-2-5-3-4/h4-7,9-10H,8H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane?
N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane has a molecular weight of 279.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane is sourced from PubChem (CID 145481945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).