6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide

C40H36N2O2 — CID 66663726

IUPAC6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide
SMILESCCC(c1ccccc1)c1c(-c2ccc3c(C(N)=O)cccc3c2C(CC)c2ccccc2)ccc2c(C(N)=O)cccc12
InChIInChI=1S/C40H36N2O2/c1-3-27(25-13-7-5-8-14-25)37-31-17-11-19-35(39(41)43)29(31)21-23-33(37)34-24-22-30-32(18-12-20-36(30)40(42)44)38(34)28(4-2)26-15-9-6-10-16-26/h5-24,27-28H,3-4H2,1-2H3,(H2,41,43)(H2,42,44)
InChIKeyUQHBRNGAZYVGCW-UHFFFAOYSA-N
MW576.74 g/mol
LogP8.94
Rot. Bonds9

About 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide

6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide (PubChem CID 66663726) has the molecular formula C40H36N2O2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide
PubChem CID66663726
Molecular FormulaC40H36N2O2
Molecular Weight576.74 g/mol
Exact Mass576.28
IUPAC Name6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide
SMILESCCC(c1ccccc1)c1c(-c2ccc3c(C(N)=O)cccc3c2C(CC)c2ccccc2)ccc2c(C(N)=O)cccc12
InChIInChI=1S/C40H36N2O2/c1-3-27(25-13-7-5-8-14-25)37-31-17-11-19-35(39(41)43)29(31)21-23-33(37)34-24-22-30-32(18-12-20-36(30)40(42)44)38(34)28(4-2)26-15-9-6-10-16-26/h5-24,27-28H,3-4H2,1-2H3,(H2,41,43)(H2,42,44)
InChIKeyUQHBRNGAZYVGCW-UHFFFAOYSA-N
XLogP8.94
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide
CID 140573292
2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
CID 129133768
CID 129133768
oxalic acid;1-phenylpropylbenzene
CID 67824543
6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
CID 66663727
2-amino-3-(1-phenylpropylamino)benzamide
CID 115545839
3-amino-2-(1-phenylethyl)benzamide
CID 135263539
2-butan-2-yl-6-carbamoylbenzoic acid
CID 174916256
(2R)-2-phenylbutanamide
CID 139147476
4,8-dihydroxy-3-(1-phenylpropyl)chromen-2-one
CID 71441489
2-hydroxybenzamide;2-hydroxybutanoic acid
CID 122625737

Frequently Asked Questions

What is the IUPAC name of 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide?
The IUPAC name of 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide (CID 66663726) is 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide is CCC(c1ccccc1)c1c(-c2ccc3c(C(N)=O)cccc3c2C(CC)c2ccccc2)ccc2c(C(N)=O)cccc12.
What is the InChIKey of 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide?
The InChIKey is UQHBRNGAZYVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O2/c1-3-27(25-13-7-5-8-14-25)37-31-17-11-19-35(39(41)43)29(31)21-23-33(37)34-24-22-30-32(18-12-20-36(30)40(42)44)38(34)28(4-2)26-15-9-6-10-16-26/h5-24,27-28H,3-4H2,1-2H3,(H2,41,43)(H2,42,44).
What are the key properties of 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide?
6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide has a molecular weight of 576.74 g/mol, XLogP of 8.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 66663726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).