4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide

C15H24N4O — CID 122662881

IUPAC4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide
SMILESCCNc1cc(N[C@@H]2CCCC[C@@H]2N)ccc1C(N)=O
InChIInChI=1S/C15H24N4O/c1-2-18-14-9-10(7-8-11(14)15(17)20)19-13-6-4-3-5-12(13)16/h7-9,12-13,18-19H,2-6,16H2,1H3,(H2,17,20)/t12-,13+/m0/s1
InChIKeyQNAUILGKJQMKHE-QWHCGFSZSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds5

About 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide

4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide (PubChem CID 122662881) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide.

Molecular Properties

Compound Name4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide
PubChem CID122662881
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide
SMILESCCNc1cc(N[C@@H]2CCCC[C@@H]2N)ccc1C(N)=O
InChIInChI=1S/C15H24N4O/c1-2-18-14-9-10(7-8-11(14)15(17)20)19-13-6-4-3-5-12(13)16/h7-9,12-13,18-19H,2-6,16H2,1H3,(H2,17,20)/t12-,13+/m0/s1
InChIKeyQNAUILGKJQMKHE-QWHCGFSZSA-N
XLogP1.90
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide?
The IUPAC name of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide (CID 122662881) is 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide.
What is the SMILES notation for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide?
The canonical SMILES for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide is CCNc1cc(N[C@@H]2CCCC[C@@H]2N)ccc1C(N)=O.
What is the InChIKey of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide?
The InChIKey is QNAUILGKJQMKHE-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-18-14-9-10(7-8-11(14)15(17)20)19-13-6-4-3-5-12(13)16/h7-9,12-13,18-19H,2-6,16H2,1H3,(H2,17,20)/t12-,13+/m0/s1.
What are the key properties of 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide?
4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(ethylamino)benzamide is sourced from PubChem (CID 122662881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).