N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide

C14H21NO2 — CID 63310818

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1cccc(CO)c1
InChIInChI=1S/C14H21NO2/c1-14(2,3)8-13(17)15-9-11-5-4-6-12(7-11)10-16/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyPBWKHCRFMKXSSY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.23
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide

N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide (PubChem CID 63310818) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
PubChem CID63310818
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1cccc(CO)c1
InChIInChI=1S/C14H21NO2/c1-14(2,3)8-13(17)15-9-11-5-4-6-12(7-11)10-16/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyPBWKHCRFMKXSSY-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
tert-butyl N-[2-[[3-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]carbamate
CID 56826930
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119775484
2-amino-3,3,3-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
CID 107218398
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]butanamide
CID 107216596
N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829840
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
5-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pentanamide
CID 107910785
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
N-[[3-(hydroxymethyl)phenyl]methyl]but-2-ynamide
CID 106741557

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide (CID 63310818) is N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is PBWKHCRFMKXSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)8-13(17)15-9-11-5-4-6-12(7-11)10-16/h4-7,16H,8-10H2,1-3H3,(H,15,17).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 63310818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).