2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C23H30N4O2 — CID 38743284

IUPAC2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C23H30N4O2/c1-18-6-5-7-21(14-18)26-23(29)25-16-22(28)24-15-19-8-10-20(11-9-19)17-27-12-3-2-4-13-27/h5-11,14H,2-4,12-13,15-17H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyWPZRCBWHCKBWAY-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.42
Rot. Bonds7

About 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 38743284) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID38743284
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C23H30N4O2/c1-18-6-5-7-21(14-18)26-23(29)25-16-22(28)24-15-19-8-10-20(11-9-19)17-27-12-3-2-4-13-27/h5-11,14H,2-4,12-13,15-17H2,1H3,(H,24,28)(H2,25,26,29)
InChIKeyWPZRCBWHCKBWAY-UHFFFAOYSA-N
XLogP3.42
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55963988
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-methylphenyl)urea
CID 52797114
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 87045751
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 100636715
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996884
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 38743284) is 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is Cc1cccc(NC(=O)NCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is WPZRCBWHCKBWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-6-5-7-21(14-18)26-23(29)25-16-22(28)24-15-19-8-10-20(11-9-19)17-27-12-3-2-4-13-27/h5-11,14H,2-4,12-13,15-17H2,1H3,(H,24,28)(H2,25,26,29).
What are the key properties of 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 38743284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).