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

C16H25N3O2 — CID 108994751

IUPACN-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCc1cccc(CNC(=O)CNCCN2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-14-3-2-4-15(11-14)12-18-16(20)13-17-5-6-19-7-9-21-10-8-19/h2-4,11,17H,5-10,12-13H2,1H3,(H,18,20)
InChIKeyHPPVTYLLTPNDTN-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.53
Rot. Bonds7

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

N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide (PubChem CID 108994751) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
PubChem CID108994751
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
SMILESCc1cccc(CNC(=O)CNCCN2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-14-3-2-4-15(11-14)12-18-16(20)13-17-5-6-19-7-9-21-10-8-19/h2-4,11,17H,5-10,12-13H2,1H3,(H,18,20)
InChIKeyHPPVTYLLTPNDTN-UHFFFAOYSA-N
XLogP0.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.53
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]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108996983
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide (CID 108994751) is N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide is Cc1cccc(CNC(=O)CNCCN2CCOCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide?
The InChIKey is HPPVTYLLTPNDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14-3-2-4-15(11-14)12-18-16(20)13-17-5-6-19-7-9-21-10-8-19/h2-4,11,17H,5-10,12-13H2,1H3,(H,18,20).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide?
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide has a molecular weight of 291.39 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide is sourced from PubChem (CID 108994751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).