2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride

C17H27ClN2O2 — CID 119331843

IUPAC2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCN(CCC1CCOCC1)C(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-19(10-7-14-8-11-21-12-9-14)17(20)16(18)13-15-5-3-2-4-6-15;/h2-6,14,16H,7-13,18H2,1H3;1H
InChIKeyBVORWRLRTHKWOS-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.25
Rot. Bonds6

About 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride

2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119331843) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119331843
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCN(CCC1CCOCC1)C(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-19(10-7-14-8-11-21-12-9-14)17(20)16(18)13-15-5-3-2-4-6-15;/h2-6,14,16H,7-13,18H2,1H3;1H
InChIKeyBVORWRLRTHKWOS-UHFFFAOYSA-N
XLogP2.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181361
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
4-[[methyl-[2-(oxan-4-yl)ethyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122027689
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
N-methyl-N-(oxan-4-ylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107030011
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
oxolan-3-ylmethyl (2S)-2-amino-3-phenylpropanoate
CID 54977339
oxan-4-ylmethyl 2-[amino(methyl)amino]-3-phenylpropanoate
CID 123348685

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride (CID 119331843) is 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride is CN(CCC1CCOCC1)C(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is BVORWRLRTHKWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-19(10-7-14-8-11-21-12-9-14)17(20)16(18)13-15-5-3-2-4-6-15;/h2-6,14,16H,7-13,18H2,1H3;1H.
What are the key properties of 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride?
2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119331843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).