N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide

C16H19NO — CID 3843226

IUPACN-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide
SMILESCC(C)(C)CN(C=O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO/c1-16(2,3)11-17(12-18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,11H2,1-3H3
InChIKeyAHPMMRQUKVUESN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.85
Rot. Bonds3

About N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide

N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide (PubChem CID 3843226) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide
PubChem CID3843226
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide
SMILESCC(C)(C)CN(C=O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO/c1-16(2,3)11-17(12-18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,11H2,1-3H3
InChIKeyAHPMMRQUKVUESN-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.85
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

[formyl(naphthalen-1-yl)amino]methyl formate
CID 87925016
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-N-naphthalen-1-ylformamide
CID 10589912
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 62271078
2-amino-N-ethyl-2-methyl-N-naphthalen-1-ylpropanamide
CID 61265760
N-methyl-N-naphthalen-1-yl-2-oxoacetamide
CID 115166156
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide
CID 63678616
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-ethylphosphanyl-N-naphthalen-1-ylnaphthalen-1-amine
CID 21437036
N-ethenyl-N-methylnaphthalen-1-amine
CID 70602093
2-[ethoxy(naphthalen-1-yl)amino]-2-methylpropanoic acid
CID 140634949

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide (CID 3843226) is N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide is CC(C)(C)CN(C=O)c1cccc2ccccc12.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide?
The InChIKey is AHPMMRQUKVUESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,3)11-17(12-18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide?
N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide has a molecular weight of 241.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-naphthalen-1-ylformamide is sourced from PubChem (CID 3843226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).