2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

C16H25N3O — CID 62993945

IUPAC2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cccc(N)c1C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C16H25N3O/c1-12(11-19-8-3-4-9-19)10-18-16(20)15-13(2)6-5-7-14(15)17/h5-7,12H,3-4,8-11,17H2,1-2H3,(H,18,20)
InChIKeyKUEJCALGCPVFBZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 62993945) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID62993945
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cccc(N)c1C(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C16H25N3O/c1-12(11-19-8-3-4-9-19)10-18-16(20)15-13(2)6-5-7-14(15)17/h5-7,12H,3-4,8-11,17H2,1-2H3,(H,18,20)
InChIKeyKUEJCALGCPVFBZ-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61140232
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
2-hydrazinyl-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62990650
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261834
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 81420795
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 55161858

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (CID 62993945) is 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is Cc1cccc(N)c1C(=O)NCC(C)CN1CCCC1.
What is the InChIKey of 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is KUEJCALGCPVFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(11-19-8-3-4-9-19)10-18-16(20)15-13(2)6-5-7-14(15)17/h5-7,12H,3-4,8-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 62993945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).