4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide

C9H17ClN2O3 — CID 108574582

IUPAC4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide
SMILESCOCC(=O)NCCNC(=O)CCCCl
InChIInChI=1S/C9H17ClN2O3/c1-15-7-9(14)12-6-5-11-8(13)3-2-4-10/h2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyBEPUDBAYMVMCNC-UHFFFAOYSA-N
MW236.70 g/mol
LogP-0.12
Rot. Bonds8

About 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide

4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide (PubChem CID 108574582) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide
PubChem CID108574582
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Name4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide
SMILESCOCC(=O)NCCNC(=O)CCCCl
InChIInChI=1S/C9H17ClN2O3/c1-15-7-9(14)12-6-5-11-8(13)3-2-4-10/h2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyBEPUDBAYMVMCNC-UHFFFAOYSA-N
XLogP-0.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-chlorobutanamide
CID 4218503
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide
CID 108573864
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
ethane;N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 156794805
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
6-methoxy-5-oxo-N-(3-oxobutyl)hexanamide
CID 59567342
N-[2-(3-chloropropanoylamino)ethyl]pentanamide
CID 108573823
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
(Z)-N-[2-[(2-methoxyacetyl)amino]ethyl]-2-methylbut-2-enamide
CID 142957795
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide (CID 108574582) is 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide is COCC(=O)NCCNC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide?
The InChIKey is BEPUDBAYMVMCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O3/c1-15-7-9(14)12-6-5-11-8(13)3-2-4-10/h2-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide?
4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide has a molecular weight of 236.70 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide is sourced from PubChem (CID 108574582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).