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

C20H32N4O2 — CID 47041609

IUPAC2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C20H32N4O2/c1-14(2)19(25)22-17-6-5-16(4)18(13-17)23-20(26)21-9-12-24-10-7-15(3)8-11-24/h5-6,13-15H,7-12H2,1-4H3,(H,22,25)(H2,21,23,26)
InChIKeySJLGEBZTXOLWCM-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.44
Rot. Bonds6

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

2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide (PubChem CID 47041609) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide
PubChem CID47041609
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C20H32N4O2/c1-14(2)19(25)22-17-6-5-16(4)18(13-17)23-20(26)21-9-12-24-10-7-15(3)8-11-24/h5-6,13-15H,7-12H2,1-4H3,(H,22,25)(H2,21,23,26)
InChIKeySJLGEBZTXOLWCM-UHFFFAOYSA-N
XLogP3.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-methyl-3-[4-(4-methylpiperidin-1-yl)butylcarbamoylamino]phenyl]propanamide
CID 55743134
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
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
2-methyl-N-[4-methyl-3-[[2-(prop-2-enoylamino)acetyl]amino]phenyl]propanamide
CID 166411586
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[2-(4-methylpiperidin-1-yl)ethylamino]-2-oxoacetyl]pyrrole-3-carboxamide
CID 158428911
2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
CID 51127734
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide (CID 47041609) is 2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCN1CCC(C)CC1.
What is the InChIKey of 2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide?
The InChIKey is SJLGEBZTXOLWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-14(2)19(25)22-17-6-5-16(4)18(13-17)23-20(26)21-9-12-24-10-7-15(3)8-11-24/h5-6,13-15H,7-12H2,1-4H3,(H,22,25)(H2,21,23,26).
What are the key properties of 2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide?
2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 3.44, 6 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-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 47041609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).