2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride

C14H22ClN3O3 — CID 119785054

IUPAC2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-11(16-13(18)10-15-8-9-20-2)14(19)17-12-6-4-3-5-7-12;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyHJJKUKUZEDUFGW-UHFFFAOYSA-N
MW315.80 g/mol
LogP0.79
Rot. Bonds8

About 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride

2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride (PubChem CID 119785054) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride
PubChem CID119785054
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-11(16-13(18)10-15-8-9-20-2)14(19)17-12-6-4-3-5-7-12;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyHJJKUKUZEDUFGW-UHFFFAOYSA-N
XLogP0.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
N-butan-2-yl-2-[[2-(2-methoxyethylamino)acetyl]amino]propanamide;hydrochloride
CID 119756312
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
2-(2-methoxyethylamino)-N-[3-(1-methoxyethyl)phenyl]acetamide;hydrochloride
CID 119768563
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119782792

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride?
The IUPAC name of 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride (CID 119785054) is 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride is COCCNCC(=O)NC(C)C(=O)Nc1ccccc1.Cl.
What is the InChIKey of 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride?
The InChIKey is HJJKUKUZEDUFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-11(16-13(18)10-15-8-9-20-2)14(19)17-12-6-4-3-5-7-12;/h3-7,11,15H,8-10H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride?
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119785054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).