2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride

C16H27ClN2O2 — CID 119750664

IUPAC2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)COCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(9-18-16(19)14(2)10-17-3)11-20-12-15-7-5-4-6-8-15;/h4-8,13-14,17H,9-12H2,1-3H3,(H,18,19);1H
InChIKeyXBTJWACVNJZBKJ-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.23
Rot. Bonds9

About 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride

2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride (PubChem CID 119750664) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
PubChem CID119750664
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)COCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(9-18-16(19)14(2)10-17-3)11-20-12-15-7-5-4-6-8-15;/h4-8,13-14,17H,9-12H2,1-3H3,(H,18,19);1H
InChIKeyXBTJWACVNJZBKJ-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)acetamide
CID 119750653
2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
CID 119304384
3-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)-3-phenylpropanamide;hydrochloride
CID 119750650
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
2-methyl-N-[1-(methylamino)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 171594170
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
2-hydroxy-N-(2-methyl-3-phenylmethoxypropyl)cyclopentane-1-carboxamide
CID 110015433
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
2-(methylamino)-N-(1-phenylmethoxypropan-2-yl)acetamide;hydrochloride
CID 119804051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride (CID 119750664) is 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride is CNCC(C)C(=O)NCC(C)COCc1ccccc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride?
The InChIKey is XBTJWACVNJZBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13(9-18-16(19)14(2)10-17-3)11-20-12-15-7-5-4-6-8-15;/h4-8,13-14,17H,9-12H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.23, 9 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-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride is sourced from PubChem (CID 119750664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).