N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

C19H30N2O — CID 14836520

IUPACN-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCCCCN(CCC)C1CCc2c(cccc2NC(C)=O)C1
InChIInChI=1S/C19H30N2O/c1-4-6-13-21(12-5-2)17-10-11-18-16(14-17)8-7-9-19(18)20-15(3)22/h7-9,17H,4-6,10-14H2,1-3H3,(H,20,22)
InChIKeyBKHHFQSGIVIMCU-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.01
Rot. Bonds7

About N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 14836520) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
PubChem CID14836520
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCCCCN(CCC)C1CCc2c(cccc2NC(C)=O)C1
InChIInChI=1S/C19H30N2O/c1-4-6-13-21(12-5-2)17-10-11-18-16(14-17)8-7-9-19(18)20-15(3)22/h7-9,17H,4-6,10-14H2,1-3H3,(H,20,22)
InChIKeyBKHHFQSGIVIMCU-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (CID 14836520) is N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is CCCCN(CCC)C1CCc2c(cccc2NC(C)=O)C1.
What is the InChIKey of N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is BKHHFQSGIVIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-6-13-21(12-5-2)17-10-11-18-16(14-17)8-7-9-19(18)20-15(3)22/h7-9,17H,4-6,10-14H2,1-3H3,(H,20,22).
What are the key properties of N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 302.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 14836520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).