N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

C30H36N2O — CID 54434056

IUPACN-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC(N(CCCc1ccccc1)CCCc1ccccc1)CC2
InChIInChI=1S/C30H36N2O/c1-24(33)31-29-18-16-27-17-19-30(23-28(27)22-29)32(20-8-14-25-10-4-2-5-11-25)21-9-15-26-12-6-3-7-13-26/h2-7,10-13,16,18,22,30H,8-9,14-15,17,19-21,23H2,1H3,(H,31,33)
InChIKeyWJMSSRLUVACYEV-UHFFFAOYSA-N
MW440.63 g/mol
LogP6.07
Rot. Bonds10

About N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 54434056) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
PubChem CID54434056
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC NameN-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC(N(CCCc1ccccc1)CCCc1ccccc1)CC2
InChIInChI=1S/C30H36N2O/c1-24(33)31-29-18-16-27-17-19-30(23-28(27)22-29)32(20-8-14-25-10-4-2-5-11-25)21-9-15-26-12-6-3-7-13-26/h2-7,10-13,16,18,22,30H,8-9,14-15,17,19-21,23H2,1H3,(H,31,33)
InChIKeyWJMSSRLUVACYEV-UHFFFAOYSA-N
XLogP6.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54040083
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
7-N-ethyl-2-N,2-N-dipropyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798947
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621
N-[4-[2-[6-[(5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexylamino]ethyl]phenyl]acetamide
CID 22906044
methyl N-[6-[benzyl-[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]carbamate
CID 57242829
N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
CID 123877752
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
(6R)-3-(methylamino)-6-[6-(2-phenylethylamino)hexyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57043489
N-[6-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
CID 69330059
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191

Frequently Asked Questions

What is the IUPAC name of N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide (CID 54434056) is N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide is CC(=O)Nc1ccc2c(c1)CC(N(CCCc1ccccc1)CCCc1ccccc1)CC2.
What is the InChIKey of N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is WJMSSRLUVACYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-24(33)31-29-18-16-27-17-19-30(23-28(27)22-29)32(20-8-14-25-10-4-2-5-11-25)21-9-15-26-12-6-3-7-13-26/h2-7,10-13,16,18,22,30H,8-9,14-15,17,19-21,23H2,1H3,(H,31,33).
What are the key properties of N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 440.63 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[bis(3-phenylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 54434056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).