N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride

C19H29ClN4O3 — CID 119653875

IUPACN-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride
SMILESCOc1ccc(-c2noc(CCCC(=O)N(C)CC(C)(C)CN)n2)cc1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-19(2,12-20)13-23(3)17(24)7-5-6-16-21-18(22-26-16)14-8-10-15(25-4)11-9-14;/h8-11H,5-7,12-13,20H2,1-4H3;1H
InChIKeyXQPDWWYYXHDGSY-UHFFFAOYSA-N
MW396.92 g/mol
LogP2.93
Rot. Bonds9

About N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride (PubChem CID 119653875) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride
PubChem CID119653875
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride
SMILESCOc1ccc(-c2noc(CCCC(=O)N(C)CC(C)(C)CN)n2)cc1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-19(2,12-20)13-23(3)17(24)7-5-6-16-21-18(22-26-16)14-8-10-15(25-4)11-9-14;/h8-11H,5-7,12-13,20H2,1-4H3;1H
InChIKeyXQPDWWYYXHDGSY-UHFFFAOYSA-N
XLogP2.93
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119656857
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CID 79652961
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
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CID 119608419
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenoxybutanamide
CID 8875186
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CID 100604609
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-4-yl)-N-propan-2-ylbutanamide
CID 51133695
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55779461
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 86833646
N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
CID 119824065
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride (CID 119653875) is N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride is COc1ccc(-c2noc(CCCC(=O)N(C)CC(C)(C)CN)n2)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride?
The InChIKey is XQPDWWYYXHDGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c1-19(2,12-20)13-23(3)17(24)7-5-6-16-21-18(22-26-16)14-8-10-15(25-4)11-9-14;/h8-11H,5-7,12-13,20H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119653875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).