2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide

C22H36N4O2 — CID 55743134

IUPAC2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCCN1CCC(C)CC1
InChIInChI=1S/C22H36N4O2/c1-16(2)21(27)24-19-8-7-18(4)20(15-19)25-22(28)23-11-5-6-12-26-13-9-17(3)10-14-26/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,24,27)(H2,23,25,28)
InChIKeyKDQBPLKCBDJNCT-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.22
Rot. Bonds8

About 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide

2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide (PubChem CID 55743134) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide
PubChem CID55743134
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCCN1CCC(C)CC1
InChIInChI=1S/C22H36N4O2/c1-16(2)21(27)24-19-8-7-18(4)20(15-19)25-22(28)23-11-5-6-12-26-13-9-17(3)10-14-26/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,24,27)(H2,23,25,28)
InChIKeyKDQBPLKCBDJNCT-UHFFFAOYSA-N
XLogP4.22
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide
CID 47041609
1-[2-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 51961645
1-[2-methyl-5-[2-[(3R)-3-methylpiperidin-1-yl]ethylcarbamoylamino]phenyl]-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]urea
CID 99845473
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
1-[2-(azepan-1-yl)phenyl]-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 60550959
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide
CID 86990920
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 60589064
2-methyl-N-[4-methyl-3-[[2-(prop-2-enoylamino)acetyl]amino]phenyl]propanamide
CID 166411586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide (CID 55743134) is 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCCN1CCC(C)CC1.
What is the InChIKey of 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide?
The InChIKey is KDQBPLKCBDJNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-16(2)21(27)24-19-8-7-18(4)20(15-19)25-22(28)23-11-5-6-12-26-13-9-17(3)10-14-26/h7-8,15-17H,5-6,9-14H2,1-4H3,(H,24,27)(H2,23,25,28).
What are the key properties of 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide?
2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide has a molecular weight of 388.56 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 55743134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).