4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide

C16H33N3O — CID 63054146

IUPAC4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide
SMILESCCC1CCC(N(C)CCC(NC(C)C)C(N)=O)CC1
InChIInChI=1S/C16H33N3O/c1-5-13-6-8-14(9-7-13)19(4)11-10-15(16(17)20)18-12(2)3/h12-15,18H,5-11H2,1-4H3,(H2,17,20)
InChIKeyPCKNAVQGYUVNQL-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.13
Rot. Bonds8

About 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide

4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide (PubChem CID 63054146) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide
PubChem CID63054146
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide
SMILESCCC1CCC(N(C)CCC(NC(C)C)C(N)=O)CC1
InChIInChI=1S/C16H33N3O/c1-5-13-6-8-14(9-7-13)19(4)11-10-15(16(17)20)18-12(2)3/h12-15,18H,5-11H2,1-4H3,(H2,17,20)
InChIKeyPCKNAVQGYUVNQL-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
CID 64521837
4-[cyclopropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63027258
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanamide
CID 63028816
2-(ethylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanamide
CID 63054490
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide
CID 63055362
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
3-[(4-ethylcyclohexyl)-methylamino]propanethioamide
CID 61450716
4-[3-(dimethylamino)propyl-methylamino]-2-(propan-2-ylamino)butanamide
CID 63699813
1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 104750169
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide (CID 63054146) is 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide is CCC1CCC(N(C)CCC(NC(C)C)C(N)=O)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide?
The InChIKey is PCKNAVQGYUVNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-13-6-8-14(9-7-13)19(4)11-10-15(16(17)20)18-12(2)3/h12-15,18H,5-11H2,1-4H3,(H2,17,20).
What are the key properties of 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide?
4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide has a molecular weight of 283.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)-methylamino]-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 63054146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).