3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide

C14H22N2O2 — CID 54927415

IUPAC3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)15-8-7-13(18)16-12-6-4-5-11(9-12)10-17/h4-6,9,15,17H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyOQZMJZOHFPHABK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.90
Rot. Bonds5

About 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide

3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide (PubChem CID 54927415) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
PubChem CID54927415
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)15-8-7-13(18)16-12-6-4-5-11(9-12)10-17/h4-6,9,15,17H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyOQZMJZOHFPHABK-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide
CID 61276046
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
3-(tert-butylamino)-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 60849734
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
CID 60849225
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
CID 113375207
2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
CID 9300768
N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide (CID 54927415) is 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide is CC(C)(C)NCCC(=O)Nc1cccc(CO)c1.
What is the InChIKey of 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide?
The InChIKey is OQZMJZOHFPHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)15-8-7-13(18)16-12-6-4-5-11(9-12)10-17/h4-6,9,15,17H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide?
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 54927415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).