3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride

C14H22Cl2N2O2 — CID 119715601

IUPAC3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
SMILESCC(C)COc1ccc(NC(=O)CC(C)N)cc1Cl.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-9(2)8-19-13-5-4-11(7-12(13)15)17-14(18)6-10(3)16;/h4-5,7,9-10H,6,8,16H2,1-3H3,(H,17,18);1H
InChIKeyLTYBZTIPFUIXFD-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.47
Rot. Bonds6

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

3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride (PubChem CID 119715601) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
PubChem CID119715601
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
SMILESCC(C)COc1ccc(NC(=O)CC(C)N)cc1Cl.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-9(2)8-19-13-5-4-11(7-12(13)15)17-14(18)6-10(3)16;/h4-5,7,9-10H,6,8,16H2,1-3H3,(H,17,18);1H
InChIKeyLTYBZTIPFUIXFD-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
4-(3-aminobutanoylamino)-2-chlorobenzoic acid
CID 61399027
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide
CID 119956470
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697
3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide
CID 119772469
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936487
2-(2-aminoethyl)-N-[3-chloro-4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621378
3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide
CID 55599525
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
CID 37408098

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride (CID 119715601) is 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride is CC(C)COc1ccc(NC(=O)CC(C)N)cc1Cl.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
The InChIKey is LTYBZTIPFUIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-9(2)8-19-13-5-4-11(7-12(13)15)17-14(18)6-10(3)16;/h4-5,7,9-10H,6,8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride?
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride has a molecular weight of 321.25 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119715601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).