2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide

C16H25N3O2 — CID 63870027

IUPAC2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(NCCOC2CCC(N)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-11-2-7-14(16(18)20)15(10-11)19-8-9-21-13-5-3-12(17)4-6-13/h2,7,10,12-13,19H,3-6,8-9,17H2,1H3,(H2,18,20)
InChIKeyXMHKSHGHYYOXHL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.79
Rot. Bonds6

About 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide

2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide (PubChem CID 63870027) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide.

Molecular Properties

Compound Name2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide
PubChem CID63870027
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(NCCOC2CCC(N)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-11-2-7-14(16(18)20)15(10-11)19-8-9-21-13-5-3-12(17)4-6-13/h2,7,10,12-13,19H,3-6,8-9,17H2,1H3,(H2,18,20)
InChIKeyXMHKSHGHYYOXHL-UHFFFAOYSA-N
XLogP1.79
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide
CID 63871527
2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide
CID 55260122
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
CID 63871182
2-(4-aminocyclohexyl)oxy-4-methylbenzenecarbothioic S-acid
CID 86619999
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
4-methyl-2-(piperidin-4-ylamino)benzamide
CID 62308857
2-(2-butoxyethylamino)-4-methylbenzenecarbothioamide
CID 62303633
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide
CID 81297349
ethyl 4-(2-carbamothioyl-5-methylanilino)butanoate
CID 64575433

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide?
The IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide (CID 63870027) is 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide.
What is the SMILES notation for 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide?
The canonical SMILES for 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide is Cc1ccc(C(N)=O)c(NCCOC2CCC(N)CC2)c1.
What is the InChIKey of 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide?
The InChIKey is XMHKSHGHYYOXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-2-7-14(16(18)20)15(10-11)19-8-9-21-13-5-3-12(17)4-6-13/h2,7,10,12-13,19H,3-6,8-9,17H2,1H3,(H2,18,20).
What are the key properties of 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide?
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide is sourced from PubChem (CID 63870027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).