1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid

C30H23NO3 — CID 14340492

IUPAC1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid
SMILESC[C@H](NC(=O)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C30H23NO3/c1-19(20-9-3-2-4-10-20)31-29(32)25-17-15-21-11-5-7-13-23(21)27(25)28-24-14-8-6-12-22(24)16-18-26(28)30(33)34/h2-19H,1H3,(H,31,32)(H,33,34)/t19-/m0/s1
InChIKeyPLBYNFJAUJHIAR-IBGZPJMESA-N
MW445.52 g/mol
LogP6.85
Rot. Bonds5

About 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid

1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid (PubChem CID 14340492) has the molecular formula C30H23NO3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid
PubChem CID14340492
Molecular FormulaC30H23NO3
Molecular Weight445.52 g/mol
Exact Mass445.17
IUPAC Name1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid
SMILESC[C@H](NC(=O)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C30H23NO3/c1-19(20-9-3-2-4-10-20)31-29(32)25-17-15-21-11-5-7-13-23(21)27(25)28-24-14-8-6-12-22(24)16-18-26(28)30(33)34/h2-19H,1H3,(H,31,32)(H,33,34)/t19-/m0/s1
InChIKeyPLBYNFJAUJHIAR-IBGZPJMESA-N
XLogP6.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
CID 100993738
1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide
CID 101018158
1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide
CID 625828
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
bis(1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid);bis(1,4-dioxane)
CID 139146760
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
CID 2827646
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid?
The IUPAC name of 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid (CID 14340492) is 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid is C[C@H](NC(=O)c1ccc2ccccc2c1-c1c(C(=O)O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid?
The InChIKey is PLBYNFJAUJHIAR-IBGZPJMESA-N. The full InChI is InChI=1S/C30H23NO3/c1-19(20-9-3-2-4-10-20)31-29(32)25-17-15-21-11-5-7-13-23(21)27(25)28-24-14-8-6-12-22(24)16-18-26(28)30(33)34/h2-19H,1H3,(H,31,32)(H,33,34)/t19-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid?
1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid has a molecular weight of 445.52 g/mol, XLogP of 6.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 14340492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).