3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide

C16H25N3O — CID 82167896

IUPAC3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(CN2CCCC2)c(N)c1
InChIInChI=1S/C16H25N3O/c1-12(2)10-18-16(20)13-5-6-14(15(17)9-13)11-19-7-3-4-8-19/h5-6,9,12H,3-4,7-8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyKRIBNGLUGGYMSR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.25
Rot. Bonds5

About 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide

3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 82167896) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID82167896
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(CN2CCCC2)c(N)c1
InChIInChI=1S/C16H25N3O/c1-12(2)10-18-16(20)13-5-6-14(15(17)9-13)11-19-7-3-4-8-19/h5-6,9,12H,3-4,7-8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyKRIBNGLUGGYMSR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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

3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 82167886
3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070467
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 82167851
3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167867
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide
CID 82167891
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
2-acetyl-N,10-bis(2-methylpropyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 110070597
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide (CID 82167896) is 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide is CC(C)CNC(=O)c1ccc(CN2CCCC2)c(N)c1.
What is the InChIKey of 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is KRIBNGLUGGYMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)10-18-16(20)13-5-6-14(15(17)9-13)11-19-7-3-4-8-19/h5-6,9,12H,3-4,7-8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide?
3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 82167896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).