N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide

C12H17NO2 — CID 121002353

IUPACN-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide
SMILESCOc1cccc(CC(C)(C)NC=O)c1
InChIInChI=1S/C12H17NO2/c1-12(2,13-9-14)8-10-5-4-6-11(7-10)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeySUCKNIMHMYRBDO-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide

N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide (PubChem CID 121002353) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide
PubChem CID121002353
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide
SMILESCOc1cccc(CC(C)(C)NC=O)c1
InChIInChI=1S/C12H17NO2/c1-12(2,13-9-14)8-10-5-4-6-11(7-10)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeySUCKNIMHMYRBDO-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide
CID 94691468
3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62724321
1-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026569
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
1-(3-methoxyphenyl)-2-propan-2-yloxypropan-2-ol
CID 91379820
1-cyano-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]propane-1-sulfonamide
CID 71909494
3-(3-methoxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115048618
2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol
CID 102641849
2-methoxy-2-[(3-methoxyphenyl)methyl]propanedioic acid
CID 146282656
2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
CID 62739211
1-methoxy-3-propylbenzene
CID 14270128

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide (CID 121002353) is N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide is COc1cccc(CC(C)(C)NC=O)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide?
The InChIKey is SUCKNIMHMYRBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,13-9-14)8-10-5-4-6-11(7-10)15-3/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide?
N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide has a molecular weight of 207.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]formamide is sourced from PubChem (CID 121002353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).