4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride

C17H29Cl2N3O2 — CID 119835993

IUPAC4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
SMILESCNCCCC(=O)NC(CN1CCOCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-18-9-5-8-17(21)19-16(15-6-3-2-4-7-15)14-20-10-12-22-13-11-20;;/h2-4,6-7,16,18H,5,8-14H2,1H3,(H,19,21);2*1H
InChIKeyFUMCCZYQMDZUIT-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.02
Rot. Bonds8

About 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride

4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride (PubChem CID 119835993) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
PubChem CID119835993
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
SMILESCNCCCC(=O)NC(CN1CCOCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-18-9-5-8-17(21)19-16(15-6-3-2-4-7-15)14-20-10-12-22-13-11-20;;/h2-4,6-7,16,18H,5,8-14H2,1H3,(H,19,21);2*1H
InChIKeyFUMCCZYQMDZUIT-UHFFFAOYSA-N
XLogP2.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide;dihydrochloride
CID 119835989
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
3-(2-aminophenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide;dihydrochloride
CID 120612134
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546
2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148831
3-(2,4-dimethylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)propanamide
CID 24649384
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
2-(3,4-dimethylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149593
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-2-(4-phenylphenoxy)acetamide
CID 9149042

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride (CID 119835993) is 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride is CNCCCC(=O)NC(CN1CCOCC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride?
The InChIKey is FUMCCZYQMDZUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-18-9-5-8-17(21)19-16(15-6-3-2-4-7-15)14-20-10-12-22-13-11-20;;/h2-4,6-7,16,18H,5,8-14H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride?
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride is sourced from PubChem (CID 119835993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).