(2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide

C29H36N4O3 — CID 24991691

IUPAC(2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide
SMILESNCC[C@@H](N)C(=O)N[C@@H](COCc1ccc2ccccc2c1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H36N4O3/c30-15-12-26(31)28(34)32-27(20-36-19-21-10-11-23-8-4-5-9-25(23)18-21)29(35)33-16-13-24(14-17-33)22-6-2-1-3-7-22/h1-11,18,24,26-27H,12-17,19-20,30-31H2,(H,32,34)/t26-,27+/m1/s1
InChIKeyZWNXFRTYSLKEFE-SXOMAYOGSA-N
MW488.63 g/mol
LogP2.92
Rot. Bonds10

About (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide

(2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide (PubChem CID 24991691) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide
PubChem CID24991691
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name(2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide
SMILESNCC[C@@H](N)C(=O)N[C@@H](COCc1ccc2ccccc2c1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H36N4O3/c30-15-12-26(31)28(34)32-27(20-36-19-21-10-11-23-8-4-5-9-25(23)18-21)29(35)33-16-13-24(14-17-33)22-6-2-1-3-7-22/h1-11,18,24,26-27H,12-17,19-20,30-31H2,(H,32,34)/t26-,27+/m1/s1
InChIKeyZWNXFRTYSLKEFE-SXOMAYOGSA-N
XLogP2.92
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide?
The IUPAC name of (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide (CID 24991691) is (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide.
What is the SMILES notation for (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide?
The canonical SMILES for (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide is NCC[C@@H](N)C(=O)N[C@@H](COCc1ccc2ccccc2c1)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide?
The InChIKey is ZWNXFRTYSLKEFE-SXOMAYOGSA-N. The full InChI is InChI=1S/C29H36N4O3/c30-15-12-26(31)28(34)32-27(20-36-19-21-10-11-23-8-4-5-9-25(23)18-21)29(35)33-16-13-24(14-17-33)22-6-2-1-3-7-22/h1-11,18,24,26-27H,12-17,19-20,30-31H2,(H,32,34)/t26-,27+/m1/s1.
What are the key properties of (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide?
(2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide has a molecular weight of 488.63 g/mol, XLogP of 2.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diamino-N-[(2S)-3-(naphthalen-2-ylmethoxy)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]butanamide is sourced from PubChem (CID 24991691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).