2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide

C14H22N2O2 — CID 107734150

IUPAC2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide
SMILESCCCC(CN)C(=O)N(CC)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-3-6-11(10-15)14(18)16(4-2)12-7-5-8-13(17)9-12/h5,7-9,11,17H,3-4,6,10,15H2,1-2H3
InChIKeyRGBMQCGITCMUSF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.12
Rot. Bonds6

About 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide

2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide (PubChem CID 107734150) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide
PubChem CID107734150
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide
SMILESCCCC(CN)C(=O)N(CC)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-3-6-11(10-15)14(18)16(4-2)12-7-5-8-13(17)9-12/h5,7-9,11,17H,3-4,6,10,15H2,1-2H3
InChIKeyRGBMQCGITCMUSF-UHFFFAOYSA-N
XLogP2.12
TPSA66.56 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
CID 107735006
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide
CID 107734856
(2S)-2-amino-N-ethyl-N-(3-hydroxyphenyl)-4-methylsulfanylbutanamide
CID 107734972
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide
CID 107734862
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
CID 107735030
2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
CID 65225792
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
CID 107734933
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide (CID 107734150) is 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide is CCCC(CN)C(=O)N(CC)c1cccc(O)c1.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide?
The InChIKey is RGBMQCGITCMUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-6-11(10-15)14(18)16(4-2)12-7-5-8-13(17)9-12/h5,7-9,11,17H,3-4,6,10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide?
2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide is sourced from PubChem (CID 107734150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).