2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide

C22H28N4O3 — CID 48681572

IUPAC2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H28N4O3/c1-16-4-3-5-19(14-16)25-22(28)23-15-21(27)24-17(2)18-6-8-20(9-7-18)26-10-12-29-13-11-26/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyHCPPCWIJJAGAIW-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.83
Rot. Bonds6

About 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide

2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide (PubChem CID 48681572) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
PubChem CID48681572
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H28N4O3/c1-16-4-3-5-19(14-16)25-22(28)23-15-21(27)24-17(2)18-6-8-20(9-7-18)26-10-12-29-13-11-26/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyHCPPCWIJJAGAIW-UHFFFAOYSA-N
XLogP2.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
CID 52509642
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
5-methyl-N-[2-[1-(4-morpholin-4-ylphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 48681400
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 133231017
1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 133231041
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391
5-(2,5-dimethylphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pentanamide
CID 48664800

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide (CID 48681572) is 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide is Cc1cccc(NC(=O)NCC(=O)NC(C)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide?
The InChIKey is HCPPCWIJJAGAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-4-3-5-19(14-16)25-22(28)23-15-21(27)24-17(2)18-6-8-20(9-7-18)26-10-12-29-13-11-26/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27)(H2,23,25,28).
What are the key properties of 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide?
2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 48681572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).