2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide

C10H17ClN2O4 — CID 104764442

IUPAC2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
SMILESCOC1(CNC(=O)NC(=O)C(C)Cl)CCOC1
InChIInChI=1S/C10H17ClN2O4/c1-7(11)8(14)13-9(15)12-5-10(16-2)3-4-17-6-10/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeySVGNIVKBDRWBNX-UHFFFAOYSA-N
MW264.71 g/mol
LogP0.25
Rot. Bonds4

About 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide

2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide (PubChem CID 104764442) has the molecular formula C10H17ClN2O4 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
PubChem CID104764442
Molecular FormulaC10H17ClN2O4
Molecular Weight264.71 g/mol
Exact Mass264.09
IUPAC Name2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
SMILESCOC1(CNC(=O)NC(=O)C(C)Cl)CCOC1
InChIInChI=1S/C10H17ClN2O4/c1-7(11)8(14)13-9(15)12-5-10(16-2)3-4-17-6-10/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeySVGNIVKBDRWBNX-UHFFFAOYSA-N
XLogP0.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
CID 104764443
5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 104762334
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 104762336
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
2-(N'-hydroxycarbamimidoyl)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutanamide
CID 104764646
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
CID 113450284
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide (CID 104764442) is 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide is COC1(CNC(=O)NC(=O)C(C)Cl)CCOC1.
What is the InChIKey of 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide?
The InChIKey is SVGNIVKBDRWBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O4/c1-7(11)8(14)13-9(15)12-5-10(16-2)3-4-17-6-10/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide?
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide has a molecular weight of 264.71 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide is sourced from PubChem (CID 104764442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).