2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide

C17H27N3O2 — CID 109005860

IUPAC2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCC(C)CCNCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-14(2)7-8-18-13-17(21)19-15-5-3-4-6-16(15)20-9-11-22-12-10-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21)
InChIKeyZVJQLDNARAWSJA-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.10
Rot. Bonds7

About 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide

2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 109005860) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID109005860
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCC(C)CCNCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-14(2)7-8-18-13-17(21)19-15-5-3-4-6-16(15)20-9-11-22-12-10-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21)
InChIKeyZVJQLDNARAWSJA-UHFFFAOYSA-N
XLogP2.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.10
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

2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid
CID 171668727
N-(2-morpholin-4-ylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000312
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 645222
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 113122957
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide (CID 109005860) is 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide is CC(C)CCNCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is ZVJQLDNARAWSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)7-8-18-13-17(21)19-15-5-3-4-6-16(15)20-9-11-22-12-10-20/h3-6,14,18H,7-13H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide?
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 109005860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).