2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride

C17H26Cl2N2O3 — CID 120786697

IUPAC2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)COc1ccc(NC(=O)C(N)C2CCOCC2)cc1Cl.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-11(2)10-23-15-4-3-13(9-14(15)18)20-17(21)16(19)12-5-7-22-8-6-12;/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3,(H,20,21);1H
InChIKeyNJVYUKYSLBDZIT-UHFFFAOYSA-N
MW377.31 g/mol
LogP3.49
Rot. Bonds6

About 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120786697) has the molecular formula C17H26Cl2N2O3 and a molecular weight of 377.31 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120786697
Molecular FormulaC17H26Cl2N2O3
Molecular Weight377.31 g/mol
Exact Mass376.13
IUPAC Name2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)COc1ccc(NC(=O)C(N)C2CCOCC2)cc1Cl.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-11(2)10-23-15-4-3-13(9-14(15)18)20-17(21)16(19)12-5-7-22-8-6-12;/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3,(H,20,21);1H
InChIKeyNJVYUKYSLBDZIT-UHFFFAOYSA-N
XLogP3.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785959
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
CID 120791756
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide
CID 119956470
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120792775
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
CID 37408098

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120786697) is 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride is CC(C)COc1ccc(NC(=O)C(N)C2CCOCC2)cc1Cl.Cl.
What is the InChIKey of 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is NJVYUKYSLBDZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3.ClH/c1-11(2)10-23-15-4-3-13(9-14(15)18)20-17(21)16(19)12-5-7-22-8-6-12;/h3-4,9,11-12,16H,5-8,10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 377.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120786697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).