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

C17H27N3O2 — CID 109016696

IUPACN-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCc1ccccc1CNC(=O)CCNCCN1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-15-4-2-3-5-16(15)14-19-17(21)6-7-18-8-9-20-10-12-22-13-11-20/h2-5,18H,6-14H2,1H3,(H,19,21)
InChIKeyURCAXXIMKXXQFR-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.92
Rot. Bonds8

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

N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide (PubChem CID 109016696) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
PubChem CID109016696
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCc1ccccc1CNC(=O)CCNCCN1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-15-4-2-3-5-16(15)14-19-17(21)6-7-18-8-9-20-10-12-22-13-11-20/h2-5,18H,6-14H2,1H3,(H,19,21)
InChIKeyURCAXXIMKXXQFR-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-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016771
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
2-[(2-methylphenyl)methylsulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 2985571
3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20851363
2-(2-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025661
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide (CID 109016696) is N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide is Cc1ccccc1CNC(=O)CCNCCN1CCOCC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The InChIKey is URCAXXIMKXXQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-15-4-2-3-5-16(15)14-19-17(21)6-7-18-8-9-20-10-12-22-13-11-20/h2-5,18H,6-14H2,1H3,(H,19,21).
What are the key properties of N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide?
N-[(2-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-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 109016696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).