N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide

C19H29NO3 — CID 70506294

IUPACN-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(Cc1ccccc1)CC1COC(C)(C)O1
InChIInChI=1S/C19H29NO3/c1-18(2,3)11-17(21)20(12-15-9-7-6-8-10-15)13-16-14-22-19(4,5)23-16/h6-10,16H,11-14H2,1-5H3
InChIKeyCQCJLIUFBTWOCX-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.60
Rot. Bonds5

About N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide

N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 70506294) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
PubChem CID70506294
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC NameN-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N(Cc1ccccc1)CC1COC(C)(C)O1
InChIInChI=1S/C19H29NO3/c1-18(2,3)11-17(21)20(12-15-9-7-6-8-10-15)13-16-14-22-19(4,5)23-16/h6-10,16H,11-14H2,1-5H3
InChIKeyCQCJLIUFBTWOCX-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-oxidomethanamine
CID 100917658
tert-butyl N-benzyl-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]carbamate
CID 174577051
benzyl-[(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)methyl]carbamic acid
CID 66953944
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]butanamide
CID 42816754
tert-butyl N-[(3S)-1-benzylpyrrolidin-3-yl]-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 58395857
methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate
CID 10892135
(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
CID 155444946
1-[benzyl(methyl)amino]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)pentan-2-ol
CID 59601516
ethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 11978887
benzyl-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylsulfanylpropyl]carbamic acid
CID 66953257
methyl (2R)-3-[benzyl(hydroxy)amino]-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 134996745

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide (CID 70506294) is N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N(Cc1ccccc1)CC1COC(C)(C)O1.
What is the InChIKey of N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is CQCJLIUFBTWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-18(2,3)11-17(21)20(12-15-9-7-6-8-10-15)13-16-14-22-19(4,5)23-16/h6-10,16H,11-14H2,1-5H3.
What are the key properties of N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide?
N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 319.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 70506294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).