2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride

C15H23ClN2O3 — CID 119812658

IUPAC2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccc(C)cc1OC1CCOC1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-3-4-12(8-17-15(18)9-16-2)14(7-11)20-13-5-6-19-10-13;/h3-4,7,13,16H,5-6,8-10H2,1-2H3,(H,17,18);1H
InChIKeyPJNMBGJWZBDSAN-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.42
Rot. Bonds6

About 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride

2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119812658) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
PubChem CID119812658
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccc(C)cc1OC1CCOC1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-3-4-12(8-17-15(18)9-16-2)14(7-11)20-13-5-6-19-10-13;/h3-4,7,13,16H,5-6,8-10H2,1-2H3,(H,17,18);1H
InChIKeyPJNMBGJWZBDSAN-UHFFFAOYSA-N
XLogP1.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
CID 166406216
3-[2-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]-2-oxoethyl]benzoic acid
CID 120551363
2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
CID 119340201
cis-(1R,2S)-2-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697565
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697586
trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 125146337
4-cyano-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-1H-pyrrole-2-carboxamide
CID 97224334
3-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 139005782
3-[(dimethylamino)methyl]-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 139005777
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide
CID 75378567

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride (CID 119812658) is 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride is CNCC(=O)NCc1ccc(C)cc1OC1CCOC1.Cl.
What is the InChIKey of 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is PJNMBGJWZBDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11-3-4-12(8-17-15(18)9-16-2)14(7-11)20-13-5-6-19-10-13;/h3-4,7,13,16H,5-6,8-10H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride?
2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119812658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).