3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride

C16H27ClN2O2 — CID 119952044

IUPAC3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCOC(C)(C)CC(C)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(11-16(2,3)20-4)18-15(19)10-14(17)13-8-6-5-7-9-13;/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19);1H
InChIKeyRMSZWLXKCOZZGX-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.82
Rot. Bonds7

About 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride

3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119952044) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119952044
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCOC(C)(C)CC(C)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(11-16(2,3)20-4)18-15(19)10-14(17)13-8-6-5-7-9-13;/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19);1H
InChIKeyRMSZWLXKCOZZGX-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
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CID 43709430
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
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3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 115748700
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119950764
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119953137
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 61157521

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride (CID 119952044) is 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride is COC(C)(C)CC(C)NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is RMSZWLXKCOZZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12(11-16(2,3)20-4)18-15(19)10-14(17)13-8-6-5-7-9-13;/h5-9,12,14H,10-11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).