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

C23H30N4O3 — CID 70077446

IUPAC2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide
SMILESCOc1cc(CC(=O)NCC2CCNCC2)ccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C23H30N4O3/c1-16-5-3-4-6-19(16)26-23(29)27-20-8-7-18(13-21(20)30-2)14-22(28)25-15-17-9-11-24-12-10-17/h3-8,13,17,24H,9-12,14-15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyUKLMBGBPCJEYQU-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.31
Rot. Bonds7

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

2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 70077446) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide
PubChem CID70077446
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide
SMILESCOc1cc(CC(=O)NCC2CCNCC2)ccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C23H30N4O3/c1-16-5-3-4-6-19(16)26-23(29)27-20-8-7-18(13-21(20)30-2)14-22(28)25-15-17-9-11-24-12-10-17/h3-8,13,17,24H,9-12,14-15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyUKLMBGBPCJEYQU-UHFFFAOYSA-N
XLogP3.31
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-amino-2-oxobutyl)-2-methoxyphenyl]-3-(2-methylphenyl)urea
CID 141036377
3-[3-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]propylcarbamoylamino]butanoic acid
CID 70088943
3-[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxo-1-pyrrolidin-3-ylpropyl]carbamoylamino]pentanedioic acid
CID 70104234
3-(N-[2-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]anilino)propanoic acid
CID 18315247
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
3-[1-cyclohexylethyl-[2-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]amino]propanoic acid
CID 18315186
3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]-1,2-oxazol-5-yl]propanoic acid;2-methylpropane
CID 142344088
2-acetamido-3-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]phenyl]propanoic acid
CID 22398054
2-[1-[2-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-methylamino]acetyl]piperidin-4-yl]acetic acid
CID 20737913
N-(2-methylphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062948

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide (CID 70077446) is 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide is COc1cc(CC(=O)NCC2CCNCC2)ccc1NC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is UKLMBGBPCJEYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16-5-3-4-6-19(16)26-23(29)27-20-8-7-18(13-21(20)30-2)14-22(28)25-15-17-9-11-24-12-10-17/h3-8,13,17,24H,9-12,14-15H2,1-2H3,(H,25,28)(H2,26,27,29).
What are the key properties of 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide?
2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 70077446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).