2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride

C16H27ClN2O3 — CID 119265988

IUPAC2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
SMILESCCCOc1ccc(NC(=O)C(C)(C)N)cc1OCCC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-5-9-20-13-8-7-12(11-14(13)21-10-6-2)18-15(19)16(3,4)17;/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19);1H
InChIKeyYVOXKSHGCCFZJP-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.36
Rot. Bonds8

About 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride

2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride (PubChem CID 119265988) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
PubChem CID119265988
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
SMILESCCCOc1ccc(NC(=O)C(C)(C)N)cc1OCCC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-5-9-20-13-8-7-12(11-14(13)21-10-6-2)18-15(19)16(3,4)17;/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19);1H
InChIKeyYVOXKSHGCCFZJP-UHFFFAOYSA-N
XLogP3.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
5-acetyl-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 9088020
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride (CID 119265988) is 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride is CCCOc1ccc(NC(=O)C(C)(C)N)cc1OCCC.Cl.
What is the InChIKey of 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride?
The InChIKey is YVOXKSHGCCFZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-5-9-20-13-8-7-12(11-14(13)21-10-6-2)18-15(19)16(3,4)17;/h7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride?
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119265988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).