2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide

C14H22N2O2 — CID 81083669

IUPAC2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
SMILESCCc1ccc(C(C)NC(=O)C(N)COC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-11-5-7-12(8-6-11)10(2)16-14(17)13(15)9-18-3/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyOTTMMQOGBNCABB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds6

About 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide

2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide (PubChem CID 81083669) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
PubChem CID81083669
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
SMILESCCc1ccc(C(C)NC(=O)C(N)COC)cc1
InChIInChI=1S/C14H22N2O2/c1-4-11-5-7-12(8-6-11)10(2)16-14(17)13(15)9-18-3/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyOTTMMQOGBNCABB-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081
2-amino-3-methoxy-N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]propanamide
CID 120989080
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586
(2S)-2-amino-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119269302
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267839
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide (CID 81083669) is 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide is CCc1ccc(C(C)NC(=O)C(N)COC)cc1.
What is the InChIKey of 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide?
The InChIKey is OTTMMQOGBNCABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11-5-7-12(8-6-11)10(2)16-14(17)13(15)9-18-3/h5-8,10,13H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide?
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 81083669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).