N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide

C14H22N2O2 — CID 103108687

IUPACN-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(3)14(18)11(2)15-9-12-5-7-13(10-17)8-6-12/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeySOVPONHOJQAWAO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.14
Rot. Bonds6

About N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide

N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide (PubChem CID 103108687) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
PubChem CID103108687
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(3)14(18)11(2)15-9-12-5-7-13(10-17)8-6-12/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKeySOVPONHOJQAWAO-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
CID 107731050
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108505
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 103275902
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107113
N-ethyl-N-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103108695
2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108873
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide (CID 103108687) is N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1ccc(CO)cc1.
What is the InChIKey of N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide?
The InChIKey is SOVPONHOJQAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(3)14(18)11(2)15-9-12-5-7-13(10-17)8-6-12/h5-8,11,15,17H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide?
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 103108687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).