4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide

C15H23N3O — CID 79353564

IUPAC4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
SMILESCC1(C)C(CNc2cc(C(N)=O)ccc2N)C1(C)C
InChIInChI=1S/C15H23N3O/c1-14(2)12(15(14,3)4)8-18-11-7-9(13(17)19)5-6-10(11)16/h5-7,12,18H,8,16H2,1-4H3,(H2,17,19)
InChIKeyREFURJNXGIIMJC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.46
Rot. Bonds4

About 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide

4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide (PubChem CID 79353564) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
PubChem CID79353564
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
SMILESCC1(C)C(CNc2cc(C(N)=O)ccc2N)C1(C)C
InChIInChI=1S/C15H23N3O/c1-14(2)12(15(14,3)4)8-18-11-7-9(13(17)19)5-6-10(11)16/h5-7,12,18H,8,16H2,1-4H3,(H2,17,19)
InChIKeyREFURJNXGIIMJC-UHFFFAOYSA-N
XLogP2.46
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(thiolan-2-ylmethylamino)benzamide
CID 80585007
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
4-amino-3-[(1,1-dioxothiolan-2-yl)methylamino]benzamide
CID 81038764
4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
CID 114107376
4-amino-3-(6-methylsulfanylhexylamino)benzamide
CID 114124771
4-amino-3-(3-ethoxypropylamino)benzamide
CID 63355784
4-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)benzamide
CID 66396196
4-amino-3-[(2,2-dimethylcyclopropyl)amino]benzamide
CID 63356653
4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
CID 65123098
4-amino-3-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 80737585
4-amino-3-[(2-ethyl-2-methylsulfanylbutyl)amino]benzamide
CID 114115594

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide?
The IUPAC name of 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide (CID 79353564) is 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide.
What is the SMILES notation for 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide?
The canonical SMILES for 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide is CC1(C)C(CNc2cc(C(N)=O)ccc2N)C1(C)C.
What is the InChIKey of 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide?
The InChIKey is REFURJNXGIIMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-14(2)12(15(14,3)4)8-18-11-7-9(13(17)19)5-6-10(11)16/h5-7,12,18H,8,16H2,1-4H3,(H2,17,19).
What are the key properties of 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide?
4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide is sourced from PubChem (CID 79353564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).