2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride

C19H31ClN2O2 — CID 2920948

IUPAC2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride
SMILESCCN(CC)C(C)C(=O)NCC1(c2ccccc2)CCOCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-4-21(5-2)16(3)18(22)20-15-19(11-13-23-14-12-19)17-9-7-6-8-10-17;/h6-10,16H,4-5,11-15H2,1-3H3,(H,20,22);1H
InChIKeyLJKWXMCHCZNPEX-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.00
Rot. Bonds7

About 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride

2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride (PubChem CID 2920948) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride
PubChem CID2920948
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride
SMILESCCN(CC)C(C)C(=O)NCC1(c2ccccc2)CCOCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-4-21(5-2)16(3)18(22)20-15-19(11-13-23-14-12-19)17-9-7-6-8-10-17;/h6-10,16H,4-5,11-15H2,1-3H3,(H,20,22);1H
InChIKeyLJKWXMCHCZNPEX-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
2-Morpholin-4-yl-2-oxo-N-(1-phenyl-cyclopentylmethyl)-acetamide
CID 2296431
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
2-(dipropylamino)-N-[(1-phenylcyclopentyl)methyl]propanamide;hydrochloride
CID 2921477
(2R,5R)-1-acetyl-2-benzyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
CID 5459711
N-(4-Phenyl-tetrahydro-pyran-4-ylmethyl)-2-pyrrolidin-1-yl-acetamide
CID 6603489
2-Dipropylamino-N-(4-phenyl-tetrahydro-pyran-4-ylmethyl)-acetamide
CID 9549399
(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 57395973
(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]butanamide
CID 57399438
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide
CID 164609201
2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 649885
2-(morpholin-4-yl)-2-oxo-N-(4-phenylbutan-2-yl)acetamide
CID 2908498

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride (CID 2920948) is 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride is CCN(CC)C(C)C(=O)NCC1(c2ccccc2)CCOCC1.Cl.
What is the InChIKey of 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride?
The InChIKey is LJKWXMCHCZNPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-4-21(5-2)16(3)18(22)20-15-19(11-13-23-14-12-19)17-9-7-6-8-10-17;/h6-10,16H,4-5,11-15H2,1-3H3,(H,20,22);1H.
What are the key properties of 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride?
2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(4-phenyloxan-4-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 2920948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).