N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide

C22H29NO — CID 67689598

IUPACN,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide
SMILESCC(=O)N(C1CCCC2CC=CC=C21)C1CCCC2CC=CC=C21
InChIInChI=1S/C22H29NO/c1-16(24)23(21-14-6-10-17-8-2-4-12-19(17)21)22-15-7-11-18-9-3-5-13-20(18)22/h2-5,12-13,17-18,21-22H,6-11,14-15H2,1H3
InChIKeyDCAZRBVPIPJFPX-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.94
Rot. Bonds2

About N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide

N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide (PubChem CID 67689598) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide
PubChem CID67689598
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC NameN,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide
SMILESCC(=O)N(C1CCCC2CC=CC=C21)C1CCCC2CC=CC=C21
InChIInChI=1S/C22H29NO/c1-16(24)23(21-14-6-10-17-8-2-4-12-19(17)21)22-15-7-11-18-9-3-5-13-20(18)22/h2-5,12-13,17-18,21-22H,6-11,14-15H2,1H3
InChIKeyDCAZRBVPIPJFPX-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide?
The IUPAC name of N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide (CID 67689598) is N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide is CC(=O)N(C1CCCC2CC=CC=C21)C1CCCC2CC=CC=C21.
What is the InChIKey of N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide?
The InChIKey is DCAZRBVPIPJFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-16(24)23(21-14-6-10-17-8-2-4-12-19(17)21)22-15-7-11-18-9-3-5-13-20(18)22/h2-5,12-13,17-18,21-22H,6-11,14-15H2,1H3.
What are the key properties of N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide?
N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide has a molecular weight of 323.48 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,2,3,4,4a,5-hexahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 67689598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).