N-(2-propan-2-ylphenyl)formamide

C10H13NO — CID 22181996

IUPACN-(2-propan-2-ylphenyl)formamide
SMILESCC(C)c1ccccc1NC=O
InChIInChI=1S/C10H13NO/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-8H,1-2H3,(H,11,12)
InChIKeyGRINMMNDZWJETC-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.38
Rot. Bonds3

About N-(2-propan-2-ylphenyl)formamide

N-(2-propan-2-ylphenyl)formamide (PubChem CID 22181996) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)formamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)formamide
PubChem CID22181996
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-(2-propan-2-ylphenyl)formamide
SMILESCC(C)c1ccccc1NC=O
InChIInChI=1S/C10H13NO/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-8H,1-2H3,(H,11,12)
InChIKeyGRINMMNDZWJETC-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide
CID 142226533
N-[2-(2-methylpropylamino)phenyl]formamide
CID 168653320
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
(E)-1-(4-chlorophenyl)-3-(2-propan-2-ylanilino)prop-2-en-1-one
CID 2253002
N'-(2-propan-2-ylphenyl)acetohydrazide
CID 606081
N-(2-ethyltellanylphenyl)formamide
CID 13214788
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)formamide?
The IUPAC name of N-(2-propan-2-ylphenyl)formamide (CID 22181996) is N-(2-propan-2-ylphenyl)formamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)formamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)formamide is CC(C)c1ccccc1NC=O.
What is the InChIKey of N-(2-propan-2-ylphenyl)formamide?
The InChIKey is GRINMMNDZWJETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-8H,1-2H3,(H,11,12).
What are the key properties of N-(2-propan-2-ylphenyl)formamide?
N-(2-propan-2-ylphenyl)formamide has a molecular weight of 163.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)formamide is sourced from PubChem (CID 22181996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).