N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide

C21H28N4O2 — CID 91675880

IUPACN-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-15(2)27-18-6-4-5-16(13-18)21(26)23-19-14-17(22)7-8-20(19)25-11-9-24(3)10-12-25/h4-8,13-15H,9-12,22H2,1-3H3,(H,23,26)
InChIKeyHJEDAHBJWMOQJG-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.06
Rot. Bonds5

About N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide

N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide (PubChem CID 91675880) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
PubChem CID91675880
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-15(2)27-18-6-4-5-16(13-18)21(26)23-19-14-17(22)7-8-20(19)25-11-9-24(3)10-12-25/h4-8,13-15H,9-12,22H2,1-3H3,(H,23,26)
InChIKeyHJEDAHBJWMOQJG-UHFFFAOYSA-N
XLogP3.06
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propoxybenzamide
CID 91675876
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
CID 62919110
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 91675849
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 91675878
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 50881780
ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
CID 16740402
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91676443
methyl 3-[(3-iodobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457104
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 91675905

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide (CID 91675880) is N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1.
What is the InChIKey of N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
The InChIKey is HJEDAHBJWMOQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)27-18-6-4-5-16(13-18)21(26)23-19-14-17(22)7-8-20(19)25-11-9-24(3)10-12-25/h4-8,13-15H,9-12,22H2,1-3H3,(H,23,26).
What are the key properties of N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide?
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 91675880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).