N-[[4-(ethylamino)phenyl]methyl]propanamide

C12H18N2O — CID 59197954

IUPACN-[[4-(ethylamino)phenyl]methyl]propanamide
SMILESCCNc1ccc(CNC(=O)CC)cc1
InChIInChI=1S/C12H18N2O/c1-3-12(15)14-9-10-5-7-11(8-6-10)13-4-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyYUYMCLXKLQFQEY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.14
Rot. Bonds5

About N-[[4-(ethylamino)phenyl]methyl]propanamide

N-[[4-(ethylamino)phenyl]methyl]propanamide (PubChem CID 59197954) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[[4-(ethylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-(ethylamino)phenyl]methyl]propanamide
PubChem CID59197954
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[[4-(ethylamino)phenyl]methyl]propanamide
SMILESCCNc1ccc(CNC(=O)CC)cc1
InChIInChI=1S/C12H18N2O/c1-3-12(15)14-9-10-5-7-11(8-6-10)13-4-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyYUYMCLXKLQFQEY-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-acetylphenyl)methyl]propanamide
CID 20825268
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
[4-[(propanoylamino)methyl]phenyl] carbamate
CID 175552226
N-ethyl-4-[(2-methylhydrazinyl)methyl]aniline
CID 143614466
N,4-diethylaniline
CID 6429431
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
bis[4-(ethylamino)phenyl]methanone
CID 157337395
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
CID 22603322
N-[(4-methyl-3-sulfanylphenyl)methyl]propanamide
CID 91363182

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylamino)phenyl]methyl]propanamide?
The IUPAC name of N-[[4-(ethylamino)phenyl]methyl]propanamide (CID 59197954) is N-[[4-(ethylamino)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-(ethylamino)phenyl]methyl]propanamide?
The canonical SMILES for N-[[4-(ethylamino)phenyl]methyl]propanamide is CCNc1ccc(CNC(=O)CC)cc1.
What is the InChIKey of N-[[4-(ethylamino)phenyl]methyl]propanamide?
The InChIKey is YUYMCLXKLQFQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-12(15)14-9-10-5-7-11(8-6-10)13-4-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of N-[[4-(ethylamino)phenyl]methyl]propanamide?
N-[[4-(ethylamino)phenyl]methyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 59197954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).