N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C20H26N4O2 — CID 119420648

IUPACN-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCOc1ccc(N)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H26N4O2/c1-23-9-11-24(12-10-23)14-15-3-5-16(6-4-15)20(25)22-19-13-17(26-2)7-8-18(19)21/h3-8,13H,9-12,14,21H2,1-2H3,(H,22,25)
InChIKeyYPSTWJNXANMWHG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.28
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 119420648) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID119420648
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCOc1ccc(N)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H26N4O2/c1-23-9-11-24(12-10-23)14-15-3-5-16(6-4-15)20(25)22-19-13-17(26-2)7-8-18(19)21/h3-8,13H,9-12,14,21H2,1-2H3,(H,22,25)
InChIKeyYPSTWJNXANMWHG-UHFFFAOYSA-N
XLogP2.28
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 1360838
[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108743623
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119421075
ethyl [4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108765957
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methoxybenzamide
CID 2811596
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 119420648) is N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is COc1ccc(N)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is YPSTWJNXANMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-9-11-24(12-10-23)14-15-3-5-16(6-4-15)20(25)22-19-13-17(26-2)7-8-18(19)21/h3-8,13H,9-12,14,21H2,1-2H3,(H,22,25).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 119420648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).