N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide

C18H33NO — CID 21025636

IUPACN-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide
SMILESCC(=O)N(CC1CCCCC1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H33NO/c1-14(2)17-9-11-18(12-10-17)19(15(3)20)13-16-7-5-4-6-8-16/h14,16-18H,4-13H2,1-3H3
InChIKeyIEYZHJBWRLFUON-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.63
Rot. Bonds4

About N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide

N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide (PubChem CID 21025636) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide
PubChem CID21025636
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide
SMILESCC(=O)N(CC1CCCCC1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H33NO/c1-14(2)17-9-11-18(12-10-17)19(15(3)20)13-16-7-5-4-6-8-16/h14,16-18H,4-13H2,1-3H3
InChIKeyIEYZHJBWRLFUON-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide (CID 21025636) is N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide is CC(=O)N(CC1CCCCC1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide?
The InChIKey is IEYZHJBWRLFUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14(2)17-9-11-18(12-10-17)19(15(3)20)13-16-7-5-4-6-8-16/h14,16-18H,4-13H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide?
N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide has a molecular weight of 279.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(4-propan-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 21025636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).