3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide

C26H34N4O3 — CID 54830418

IUPAC3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C26H34N4O3/c1-18(2)16-24(31)28-22-8-10-23(11-9-22)29-25(32)17-27-21-6-4-20(5-7-21)26(33)30-14-12-19(3)13-15-30/h4-11,18-19,27H,12-17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyUAISKPAWSKUIDN-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.59
Rot. Bonds8

About 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide

3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide (PubChem CID 54830418) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
PubChem CID54830418
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C26H34N4O3/c1-18(2)16-24(31)28-22-8-10-23(11-9-22)29-25(32)17-27-21-6-4-20(5-7-21)26(33)30-14-12-19(3)13-15-30/h4-11,18-19,27H,12-17H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyUAISKPAWSKUIDN-UHFFFAOYSA-N
XLogP4.59
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide with MolForge

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Related Compounds

3-methyl-N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54832093
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
N-ethyl-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839291
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
N-methyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830446
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836112
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830445
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54840399
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2,4,5-trichloroanilino)acetamide
CID 54816396
4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590016

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide (CID 54830418) is 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
The InChIKey is UAISKPAWSKUIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-18(2)16-24(31)28-22-8-10-23(11-9-22)29-25(32)17-27-21-6-4-20(5-7-21)26(33)30-14-12-19(3)13-15-30/h4-11,18-19,27H,12-17H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide?
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide has a molecular weight of 450.58 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54830418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).