6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide

C31H26N2O2 — CID 140573292

IUPAC6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide
SMILESC[C@H](Cc1c(-c2ccc3c(C(N)=O)cccc3c2)ccc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C31H26N2O2/c1-19(20-7-3-2-4-8-20)17-29-24(15-16-26-25(29)10-6-12-28(26)31(33)35)22-13-14-23-21(18-22)9-5-11-27(23)30(32)34/h2-16,18-19H,17H2,1H3,(H2,32,34)(H2,33,35)/t19-/m1/s1
InChIKeyHHBQVYDBKBCFLS-LJQANCHMSA-N
MW458.56 g/mol
LogP6.20
Rot. Bonds6

About 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide

6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide (PubChem CID 140573292) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide
PubChem CID140573292
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC Name6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide
SMILESC[C@H](Cc1c(-c2ccc3c(C(N)=O)cccc3c2)ccc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C31H26N2O2/c1-19(20-7-3-2-4-8-20)17-29-24(15-16-26-25(29)10-6-12-28(26)31(33)35)22-13-14-23-21(18-22)9-5-11-27(23)30(32)34/h2-16,18-19H,17H2,1H3,(H2,32,34)(H2,33,35)/t19-/m1/s1
InChIKeyHHBQVYDBKBCFLS-LJQANCHMSA-N
XLogP6.20
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-hydroxyphenyl)naphthalene-1-carboxamide
CID 69279515
6-[5-[bis(1-phenylpropyl)carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
CID 66663727
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
6-[5-carbamoyl-1-(1-phenylpropyl)naphthalen-2-yl]-5-(1-phenylpropyl)naphthalene-1-carboxamide
CID 66663726
CID 129133768
CID 129133768
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
10-aminoanthracene-1-carboxamide
CID 23131366
[4-[3,5-bis[4-(naphthalene-1-carbonyl)naphthalen-1-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylmethanone
CID 58922083
2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
naphthalene-1-carbonitrile;naphthalene-1-carboxamide
CID 158583928
3,4-bis(2-phenylpropyl)-1H-pyrrole-2,5-diol
CID 90890207

Frequently Asked Questions

What is the IUPAC name of 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide (CID 140573292) is 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide is C[C@H](Cc1c(-c2ccc3c(C(N)=O)cccc3c2)ccc2c(C(N)=O)cccc12)c1ccccc1.
What is the InChIKey of 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide?
The InChIKey is HHBQVYDBKBCFLS-LJQANCHMSA-N. The full InChI is InChI=1S/C31H26N2O2/c1-19(20-7-3-2-4-8-20)17-29-24(15-16-26-25(29)10-6-12-28(26)31(33)35)22-13-14-23-21(18-22)9-5-11-27(23)30(32)34/h2-16,18-19H,17H2,1H3,(H2,32,34)(H2,33,35)/t19-/m1/s1.
What are the key properties of 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide?
6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-carbamoylnaphthalen-2-yl)-5-[(2R)-2-phenylpropyl]naphthalene-1-carboxamide is sourced from PubChem (CID 140573292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).