2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride

C16H27ClN2O2 — CID 119739688

IUPAC2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCCOCCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-14(13-17-2)16(19)18-10-6-11-20-12-9-15-7-4-3-5-8-15;/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,18,19);1H
InChIKeyXHGAVQUBBNDOTL-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.03
Rot. Bonds10

About 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride (PubChem CID 119739688) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
PubChem CID119739688
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCCOCCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-14(13-17-2)16(19)18-10-6-11-20-12-9-15-7-4-3-5-8-15;/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,18,19);1H
InChIKeyXHGAVQUBBNDOTL-UHFFFAOYSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
CID 124830596
(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
CID 119293937
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867796
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
3-amino-2-methyl-N-(3-phenylmethoxypropyl)propanamide
CID 62670890
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride (CID 119739688) is 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride is CNCC(C)C(=O)NCCCOCCc1ccccc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride?
The InChIKey is XHGAVQUBBNDOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-14(13-17-2)16(19)18-10-6-11-20-12-9-15-7-4-3-5-8-15;/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119739688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).