5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide

C14H22N4O — CID 67978063

IUPAC5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide
SMILESCCNC(=O)c1cc(N)c(NC)cc1N(C)C1CC1
InChIInChI=1S/C14H22N4O/c1-4-17-14(19)10-7-11(15)12(16-2)8-13(10)18(3)9-5-6-9/h7-9,16H,4-6,15H2,1-3H3,(H,17,19)
InChIKeyLEVACPPZJWBLEP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.66
Rot. Bonds5

About 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide

5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide (PubChem CID 67978063) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide.

Molecular Properties

Compound Name5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide
PubChem CID67978063
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide
SMILESCCNC(=O)c1cc(N)c(NC)cc1N(C)C1CC1
InChIInChI=1S/C14H22N4O/c1-4-17-14(19)10-7-11(15)12(16-2)8-13(10)18(3)9-5-6-9/h7-9,16H,4-6,15H2,1-3H3,(H,17,19)
InChIKeyLEVACPPZJWBLEP-UHFFFAOYSA-N
XLogP1.66
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(methylamino)-2-[methyl(thiolan-3-yl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 67978803
5-amino-4-(methylamino)-2-[methyl(prop-2-ynyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 86666477
5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide
CID 123494767
5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
CID 112756977
5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 67978849
5-amino-4-(methylamino)-2-[4-(trifluoromethyl)piperidin-1-yl]-N-(3,3,3-trifluoropropyl)benzamide
CID 86666490
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
CID 82991708
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62979065
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide
CID 67978209
2-amino-4-bromo-N-ethyl-5-fluorobenzamide
CID 130515983

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide?
The IUPAC name of 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide (CID 67978063) is 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide.
What is the SMILES notation for 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide?
The canonical SMILES for 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide is CCNC(=O)c1cc(N)c(NC)cc1N(C)C1CC1.
What is the InChIKey of 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide?
The InChIKey is LEVACPPZJWBLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-17-14(19)10-7-11(15)12(16-2)8-13(10)18(3)9-5-6-9/h7-9,16H,4-6,15H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide?
5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide has a molecular weight of 262.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide is sourced from PubChem (CID 67978063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).