N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide

C14H22N2O2 — CID 54873511

IUPACN-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)15-9-8-14(18)16(3)10-12-4-6-13(17)7-5-12/h4-7,11,15,17H,8-10H2,1-3H3
InChIKeyXLTCCKOXTVHAFT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.74
Rot. Bonds6

About N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide

N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide (PubChem CID 54873511) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
PubChem CID54873511
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)15-9-8-14(18)16(3)10-12-4-6-13(17)7-5-12/h4-7,11,15,17H,8-10H2,1-3H3
InChIKeyXLTCCKOXTVHAFT-UHFFFAOYSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54873535
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54874164
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
N-[(4-hydroxyphenyl)methyl]-N,3,4,4-tetramethylpentanamide
CID 63821456
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide (CID 54873511) is N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The InChIKey is XLTCCKOXTVHAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)15-9-8-14(18)16(3)10-12-4-6-13(17)7-5-12/h4-7,11,15,17H,8-10H2,1-3H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54873511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).