N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide

C17H26N2O4 — CID 97211367

IUPACN-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCC[C@@H](CNC(=O)C1=COCCC1)NC(=O)C1=COCCC1
InChIInChI=1S/C17H26N2O4/c1-2-5-15(19-17(21)14-7-4-9-23-12-14)10-18-16(20)13-6-3-8-22-11-13/h11-12,15H,2-10H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyYOOASYIOLBOTGR-HNNXBMFYSA-N
MW322.41 g/mol
LogP1.78
Rot. Bonds7

About N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 97211367) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID97211367
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCCC[C@@H](CNC(=O)C1=COCCC1)NC(=O)C1=COCCC1
InChIInChI=1S/C17H26N2O4/c1-2-5-15(19-17(21)14-7-4-9-23-12-14)10-18-16(20)13-6-3-8-22-11-13/h11-12,15H,2-10H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyYOOASYIOLBOTGR-HNNXBMFYSA-N
XLogP1.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 97211367) is N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide is CCC[C@@H](CNC(=O)C1=COCCC1)NC(=O)C1=COCCC1.
What is the InChIKey of N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is YOOASYIOLBOTGR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-2-5-15(19-17(21)14-7-4-9-23-12-14)10-18-16(20)13-6-3-8-22-11-13/h11-12,15H,2-10H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 97211367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).