2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate

C16H24N2O5 — CID 126008366

IUPAC2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate
SMILESCOc1ccc(OC)c(NC(=O)CCNC(=O)OCC(C)C)c1
InChIInChI=1S/C16H24N2O5/c1-11(2)10-23-16(20)17-8-7-15(19)18-13-9-12(21-3)5-6-14(13)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyKBICYMHQEOBSJT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.41
Rot. Bonds8

About 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate

2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate (PubChem CID 126008366) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate
PubChem CID126008366
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate
SMILESCOc1ccc(OC)c(NC(=O)CCNC(=O)OCC(C)C)c1
InChIInChI=1S/C16H24N2O5/c1-11(2)10-23-16(20)17-8-7-15(19)18-13-9-12(21-3)5-6-14(13)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyKBICYMHQEOBSJT-UHFFFAOYSA-N
XLogP2.41
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
N-(2,5-dimethoxyphenyl)-4-(ethylamino)butanamide
CID 67149586
N-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823911
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate (CID 126008366) is 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate is COc1ccc(OC)c(NC(=O)CCNC(=O)OCC(C)C)c1.
What is the InChIKey of 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate?
The InChIKey is KBICYMHQEOBSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-11(2)10-23-16(20)17-8-7-15(19)18-13-9-12(21-3)5-6-14(13)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate?
2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate is sourced from PubChem (CID 126008366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).