3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide

C27H36N4O3 — CID 56512790

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C27H36N4O3/c1-19-14-20(2)17-31(16-19)26(33)23-11-10-21(3)24(15-23)29-25(32)12-13-28-27(34)30(4)18-22-8-6-5-7-9-22/h5-11,15,19-20H,12-14,16-18H2,1-4H3,(H,28,34)(H,29,32)
InChIKeyVIYGGVUMCREOCG-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.28
Rot. Bonds7

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide (PubChem CID 56512790) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
PubChem CID56512790
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)CCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C27H36N4O3/c1-19-14-20(2)17-31(16-19)26(33)23-11-10-21(3)24(15-23)29-25(32)12-13-28-27(34)30(4)18-22-8-6-5-7-9-22/h5-11,15,19-20H,12-14,16-18H2,1-4H3,(H,28,34)(H,29,32)
InChIKeyVIYGGVUMCREOCG-UHFFFAOYSA-N
XLogP4.28
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 120568392
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 56516489
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118385
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55895384
1-benzyl-3-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-1-methylurea
CID 56516014
N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581428
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 56515304
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55895252
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-oxobutanamide
CID 55895134
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide (CID 56512790) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)CCNC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide?
The InChIKey is VIYGGVUMCREOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-19-14-20(2)17-31(16-19)26(33)23-11-10-21(3)24(15-23)29-25(32)12-13-28-27(34)30(4)18-22-8-6-5-7-9-22/h5-11,15,19-20H,12-14,16-18H2,1-4H3,(H,28,34)(H,29,32).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide has a molecular weight of 464.61 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 56512790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).