2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride

C21H27ClN2O3 — CID 120668645

IUPAC2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-15-2-4-17(5-3-15)20(22)21(24)23-18-6-8-19(9-7-18)26-14-16-10-12-25-13-11-16;/h2-9,16,20H,10-14,22H2,1H3,(H,23,24);1H
InChIKeySDLMVLDUMSUCQC-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.86
Rot. Bonds6

About 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride

2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride (PubChem CID 120668645) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
PubChem CID120668645
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-15-2-4-17(5-3-15)20(22)21(24)23-18-6-8-19(9-7-18)26-14-16-10-12-25-13-11-16;/h2-9,16,20H,10-14,22H2,1H3,(H,23,24);1H
InChIKeySDLMVLDUMSUCQC-UHFFFAOYSA-N
XLogP3.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
2-amino-N-[4-(cyclopropylmethoxy)phenyl]pentanamide
CID 119325264
1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329322
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
9-amino-N-[4-(oxan-4-ylmethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990360

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride (CID 120668645) is 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride is Cc1ccc(C(N)C(=O)Nc2ccc(OCC3CCOCC3)cc2)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is SDLMVLDUMSUCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-15-2-4-17(5-3-15)20(22)21(24)23-18-6-8-19(9-7-18)26-14-16-10-12-25-13-11-16;/h2-9,16,20H,10-14,22H2,1H3,(H,23,24);1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride?
2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120668645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).