3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide

C9H16ClNO2 — CID 62726850

IUPAC3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide
SMILESC=COCCCNC(=O)C(C)CCl
InChIInChI=1S/C9H16ClNO2/c1-3-13-6-4-5-11-9(12)8(2)7-10/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyPQFKPOWRTZQTFR-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.53
Rot. Bonds7

About 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide

3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide (PubChem CID 62726850) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide
PubChem CID62726850
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide
SMILESC=COCCCNC(=O)C(C)CCl
InChIInChI=1S/C9H16ClNO2/c1-3-13-6-4-5-11-9(12)8(2)7-10/h3,8H,1,4-7H2,2H3,(H,11,12)
InChIKeyPQFKPOWRTZQTFR-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(3-ethenoxypropyl)propanamide
CID 78973332
1-(3-ethenoxypropyl)-3-propan-2-ylurea
CID 59741503
2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
CID 87995485
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964547
N-(3-ethenoxypropyl)-2-(methylamino)acetamide
CID 61274455
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
3-chloro-2-methyl-N-(3-methylsulfonylpropyl)propanamide
CID 62726649
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N-(3-ethenoxypropyl)-2-(ethylamino)-2-methylpropanamide
CID 62837032
5-(3-ethenoxypropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62932848

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide (CID 62726850) is 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide is C=COCCCNC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide?
The InChIKey is PQFKPOWRTZQTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-3-13-6-4-5-11-9(12)8(2)7-10/h3,8H,1,4-7H2,2H3,(H,11,12).
What are the key properties of 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide?
3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide has a molecular weight of 205.68 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 62726850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).