3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide

C19H32N4O — CID 119902468

IUPAC3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
SMILESCC(CNC(=O)C(C)C(N)c1ccccc1)CN1CCN(C)CC1
InChIInChI=1S/C19H32N4O/c1-15(14-23-11-9-22(3)10-12-23)13-21-19(24)16(2)18(20)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14,20H2,1-3H3,(H,21,24)
InChIKeyPOJYULKXRLXLKM-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.32
Rot. Bonds7

About 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide (PubChem CID 119902468) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
PubChem CID119902468
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
SMILESCC(CNC(=O)C(C)C(N)c1ccccc1)CN1CCN(C)CC1
InChIInChI=1S/C19H32N4O/c1-15(14-23-11-9-22(3)10-12-23)13-21-19(24)16(2)18(20)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14,20H2,1-3H3,(H,21,24)
InChIKeyPOJYULKXRLXLKM-UHFFFAOYSA-N
XLogP1.32
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
CID 119901081
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 82014367
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119850097
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
CID 86869523
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
1-(2,2-diphenylethyl)-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111356839
3-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenylpropanamide
CID 119851584
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide (CID 119902468) is 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide is CC(CNC(=O)C(C)C(N)c1ccccc1)CN1CCN(C)CC1.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide?
The InChIKey is POJYULKXRLXLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15(14-23-11-9-22(3)10-12-23)13-21-19(24)16(2)18(20)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14,20H2,1-3H3,(H,21,24).
What are the key properties of 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide has a molecular weight of 332.49 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119902468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).