N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide

C17H27N3O2 — CID 109016697

IUPACN-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCc1cccc(CNC(=O)CCNCCN2CCOCC2)c1
InChIInChI=1S/C17H27N3O2/c1-15-3-2-4-16(13-15)14-19-17(21)5-6-18-7-8-20-9-11-22-12-10-20/h2-4,13,18H,5-12,14H2,1H3,(H,19,21)
InChIKeyRYMGNSKMMCGBHI-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.92
Rot. Bonds8

About N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide

N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide (PubChem CID 109016697) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
PubChem CID109016697
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCc1cccc(CNC(=O)CCNCCN2CCOCC2)c1
InChIInChI=1S/C17H27N3O2/c1-15-3-2-4-16(13-15)14-19-17(21)5-6-18-7-8-20-9-11-22-12-10-20/h2-4,13,18H,5-12,14H2,1H3,(H,19,21)
InChIKeyRYMGNSKMMCGBHI-UHFFFAOYSA-N
XLogP0.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.92
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

N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483704
2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide (CID 109016697) is N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide is Cc1cccc(CNC(=O)CCNCCN2CCOCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The InChIKey is RYMGNSKMMCGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-15-3-2-4-16(13-15)14-19-17(21)5-6-18-7-8-20-9-11-22-12-10-20/h2-4,13,18H,5-12,14H2,1H3,(H,19,21).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide?
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide has a molecular weight of 305.42 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 109016697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).