N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

C17H29N3O5S — CID 126513662

IUPACN-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCSC1CC(=O)N(CCC(=O)NCCC(C)(C)OCNC(C)C=O)C1=O
InChIInChI=1S/C17H29N3O5S/c1-12(10-21)19-11-25-17(2,3)6-7-18-14(22)5-8-20-15(23)9-13(26-4)16(20)24/h10,12-13,19H,5-9,11H2,1-4H3,(H,18,22)
InChIKeyQNHCUTNRXCBSPA-UHFFFAOYSA-N
MW387.50 g/mol
LogP0.30
Rot. Bonds12

About N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 126513662) has the molecular formula C17H29N3O5S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID126513662
Molecular FormulaC17H29N3O5S
Molecular Weight387.50 g/mol
Exact Mass387.18
IUPAC NameN-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCSC1CC(=O)N(CCC(=O)NCCC(C)(C)OCNC(C)C=O)C1=O
InChIInChI=1S/C17H29N3O5S/c1-12(10-21)19-11-25-17(2,3)6-7-18-14(22)5-8-20-15(23)9-13(26-4)16(20)24/h10,12-13,19H,5-9,11H2,1-4H3,(H,18,22)
InChIKeyQNHCUTNRXCBSPA-UHFFFAOYSA-N
XLogP0.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide 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-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 126513662) is N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is CSC1CC(=O)N(CCC(=O)NCCC(C)(C)OCNC(C)C=O)C1=O.
What is the InChIKey of N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is QNHCUTNRXCBSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5S/c1-12(10-21)19-11-25-17(2,3)6-7-18-14(22)5-8-20-15(23)9-13(26-4)16(20)24/h10,12-13,19H,5-9,11H2,1-4H3,(H,18,22).
What are the key properties of N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 387.50 g/mol, XLogP of 0.30, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-3-[(1-oxopropan-2-ylamino)methoxy]butyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 126513662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).