N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide

C20H29ClN2O5 — CID 55719039

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CCOCC2CCCO2)cc1Cl
InChIInChI=1S/C20H29ClN2O5/c1-3-23(4-2)20(25)14-28-18-8-7-15(12-17(18)21)22-19(24)9-11-26-13-16-6-5-10-27-16/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H,22,24)
InChIKeyWYAXERQEVOYULY-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.11
Rot. Bonds11

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55719039) has the molecular formula C20H29ClN2O5 and a molecular weight of 412.91 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55719039
Molecular FormulaC20H29ClN2O5
Molecular Weight412.91 g/mol
Exact Mass412.18
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CCOCC2CCCO2)cc1Cl
InChIInChI=1S/C20H29ClN2O5/c1-3-23(4-2)20(25)14-28-18-8-7-15(12-17(18)21)22-19(24)9-11-26-13-16-6-5-10-27-16/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H,22,24)
InChIKeyWYAXERQEVOYULY-UHFFFAOYSA-N
XLogP3.11
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55718922
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719612
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 39171394
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-1,4-dioxane-2-carboxamide
CID 47028925
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78882748
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 129469734
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
CID 120588524

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 55719039) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide is CCN(CC)C(=O)COc1ccc(NC(=O)CCOCC2CCCO2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is WYAXERQEVOYULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O5/c1-3-23(4-2)20(25)14-28-18-8-7-15(12-17(18)21)22-19(24)9-11-26-13-16-6-5-10-27-16/h7-8,12,16H,3-6,9-11,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 412.91 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55719039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).