N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide

C18H33NO — CID 174310408

IUPACN-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CCCC2CCC(CC)CC12
InChIInChI=1S/C18H33NO/c1-3-6-18(20)19-12-11-16-8-5-7-15-10-9-14(4-2)13-17(15)16/h14-17H,3-13H2,1-2H3,(H,19,20)
InChIKeyHGVGSRIFCZGRHY-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.54
Rot. Bonds6

About N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide

N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide (PubChem CID 174310408) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide
PubChem CID174310408
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CCCC2CCC(CC)CC12
InChIInChI=1S/C18H33NO/c1-3-6-18(20)19-12-11-16-8-5-7-15-10-9-14(4-2)13-17(15)16/h14-17H,3-13H2,1-2H3,(H,19,20)
InChIKeyHGVGSRIFCZGRHY-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide with MolForge

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Related Compounds

N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-2-methylpropanamide
CID 174325247
7-butyl-1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 53438681
1-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]-1-methylthiourea
CID 174326396
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
3-[(3-cyclopropylcyclohexyl)amino]-N-propylpropanamide
CID 64623786
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
N-ethyl-3-[(3-ethylcyclohexyl)amino]propanamide
CID 64743974
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 81014827
3-[(1R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propanoyl chloride
CID 125482892

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide (CID 174310408) is N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide is CCCC(=O)NCCC1CCCC2CCC(CC)CC12.
What is the InChIKey of N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide?
The InChIKey is HGVGSRIFCZGRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-6-18(20)19-12-11-16-8-5-7-15-10-9-14(4-2)13-17(15)16/h14-17H,3-13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide?
N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide has a molecular weight of 279.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)ethyl]butanamide is sourced from PubChem (CID 174310408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).