N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide

C30H24N2O2 — CID 155935084

IUPACN-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccc2ccccc2c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C30H24N2O2/c33-29(31-27-17-16-22-9-5-7-13-25(22)19-27)20-28(32-30(34)23-10-2-1-3-11-23)26-15-14-21-8-4-6-12-24(21)18-26/h1-19,28H,20H2,(H,31,33)(H,32,34)/t28-/m0/s1
InChIKeyMLQVYPVDYMIJAL-NDEPHWFRSA-N
MW444.53 g/mol
LogP6.49
Rot. Bonds6

About N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide

N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide (PubChem CID 155935084) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
PubChem CID155935084
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC NameN-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccc2ccccc2c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C30H24N2O2/c33-29(31-27-17-16-22-9-5-7-13-25(22)19-27)20-28(32-30(34)23-10-2-1-3-11-23)26-15-14-21-8-4-6-12-24(21)18-26/h1-19,28H,20H2,(H,31,33)(H,32,34)/t28-/m0/s1
InChIKeyMLQVYPVDYMIJAL-NDEPHWFRSA-N
XLogP6.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide (CID 155935084) is N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide is O=C(C[C@H](NC(=O)c1ccccc1)c1ccc2ccccc2c1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
The InChIKey is MLQVYPVDYMIJAL-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H24N2O2/c33-29(31-27-17-16-22-9-5-7-13-25(22)19-27)20-28(32-30(34)23-10-2-1-3-11-23)26-15-14-21-8-4-6-12-24(21)18-26/h1-19,28H,20H2,(H,31,33)(H,32,34)/t28-/m0/s1.
What are the key properties of N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide?
N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide has a molecular weight of 444.53 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-naphthalen-2-yl-3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 155935084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).