N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide

C14H22N2O — CID 43601133

IUPACN-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
SMILESCCNCc1cccc(NC(=O)CC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-15-10-12-6-5-7-13(9-12)16-14(17)8-11(2)3/h5-7,9,11,15H,4,8,10H2,1-3H3,(H,16,17)
InChIKeyMRYRAMAWNPNEOF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.78
Rot. Bonds6

About N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide

N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide (PubChem CID 43601133) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
PubChem CID43601133
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
SMILESCCNCc1cccc(NC(=O)CC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-15-10-12-6-5-7-13(9-12)16-14(17)8-11(2)3/h5-7,9,11,15H,4,8,10H2,1-3H3,(H,16,17)
InChIKeyMRYRAMAWNPNEOF-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119301478
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
CID 119745433
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 110918783
2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522
N-[3-[[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide
CID 111176712
3-methyl-N-[3-[[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111003001
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
N-[3-[[[N-ethyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 111878014
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
3-methyl-N-[3-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111244021

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide (CID 43601133) is N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide is CCNCc1cccc(NC(=O)CC(C)C)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide?
The InChIKey is MRYRAMAWNPNEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-15-10-12-6-5-7-13(9-12)16-14(17)8-11(2)3/h5-7,9,11,15H,4,8,10H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide?
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 43601133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).