N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide

C19H31N5O2 — CID 126451419

IUPACN-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NCC[C@H](C)N2CCN(C)CC2)c1
InChIInChI=1S/C19H31N5O2/c1-15(24-12-10-22(3)11-13-24)8-9-20-19(26)21-17-6-5-7-18(14-17)23(4)16(2)25/h5-7,14-15H,8-13H2,1-4H3,(H2,20,21,26)/t15-/m0/s1
InChIKeyPGQYFQCWFHEHRY-HNNXBMFYSA-N
MW361.49 g/mol
LogP1.82
Rot. Bonds6

About N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide

N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide (PubChem CID 126451419) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide
PubChem CID126451419
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NCC[C@H](C)N2CCN(C)CC2)c1
InChIInChI=1S/C19H31N5O2/c1-15(24-12-10-22(3)11-13-24)8-9-20-19(26)21-17-6-5-7-18(14-17)23(4)16(2)25/h5-7,14-15H,8-13H2,1-4H3,(H2,20,21,26)/t15-/m0/s1
InChIKeyPGQYFQCWFHEHRY-HNNXBMFYSA-N
XLogP1.82
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methylpiperazin-1-yl)butyl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 119066280
1-[3-(2-methylphenyl)phenyl]-3-[3-(4-methylpiperazin-1-yl)butyl]urea
CID 118764189
methyl N-[3-[2-(4-methylpiperazin-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 136571786
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
1-[2-(4-methylpiperazin-1-yl)propyl]-3-(3-phenoxyphenyl)urea
CID 118781218
N-methyl-N-[3-[[1-(2-methylpropyl)imidazol-2-yl]methylcarbamoylamino]phenyl]acetamide
CID 71984767
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
N-[3-[[3-hydroxy-1-(4-propan-2-ylphenyl)propyl]carbamoylamino]phenyl]-N-methylacetamide
CID 74237976
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
CID 75477546
1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea
CID 125164986

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide (CID 126451419) is N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide is CC(=O)N(C)c1cccc(NC(=O)NCC[C@H](C)N2CCN(C)CC2)c1.
What is the InChIKey of N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide?
The InChIKey is PGQYFQCWFHEHRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(24-12-10-22(3)11-13-24)8-9-20-19(26)21-17-6-5-7-18(14-17)23(4)16(2)25/h5-7,14-15H,8-13H2,1-4H3,(H2,20,21,26)/t15-/m0/s1.
What are the key properties of N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide?
N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 126451419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).