N-[(4-tert-butylphenyl)methyl]-N-methylformamide

C13H19NO — CID 64992471

IUPACN-[(4-tert-butylphenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19NO/c1-13(2,3)12-7-5-11(6-8-12)9-14(4)10-15/h5-8,10H,9H2,1-4H3
InChIKeyPMMGPZGCQMKHCB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.57
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-N-methylformamide

N-[(4-tert-butylphenyl)methyl]-N-methylformamide (PubChem CID 64992471) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-methylformamide
PubChem CID64992471
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H19NO/c1-13(2,3)12-7-5-11(6-8-12)9-14(4)10-15/h5-8,10H,9H2,1-4H3
InChIKeyPMMGPZGCQMKHCB-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(4-tert-butylphenyl)methyl]-N-methylethanamine
CID 80674852
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
3-(4-tert-butylphenyl)propanal
CID 87303470
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
1-bromo-N-[(4-tert-butylphenyl)methyl]-N,2-dimethylpropan-2-amine
CID 113476438
N-[(4-tert-butylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172283
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039966
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106116
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methylformamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methylformamide (CID 64992471) is N-[(4-tert-butylphenyl)methyl]-N-methylformamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-methylformamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-methylformamide is CN(C=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-methylformamide?
The InChIKey is PMMGPZGCQMKHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12-7-5-11(6-8-12)9-14(4)10-15/h5-8,10H,9H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-methylformamide?
N-[(4-tert-butylphenyl)methyl]-N-methylformamide has a molecular weight of 205.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-methylformamide is sourced from PubChem (CID 64992471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).