N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide

C18H27ClN2O4 — CID 55611108

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CCOC(C)C)cc1Cl
InChIInChI=1S/C18H27ClN2O4/c1-5-21(6-2)18(23)12-25-16-8-7-14(11-15(16)19)20-17(22)9-10-24-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,20,22)
InChIKeyWAZGFXKRLNNMOS-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.34
Rot. Bonds10

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide (PubChem CID 55611108) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
PubChem CID55611108
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CCOC(C)C)cc1Cl
InChIInChI=1S/C18H27ClN2O4/c1-5-21(6-2)18(23)12-25-16-8-7-14(11-15(16)19)20-17(22)9-10-24-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,20,22)
InChIKeyWAZGFXKRLNNMOS-UHFFFAOYSA-N
XLogP3.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
CID 120588524
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide
CID 55619888
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719039
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718
2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180625

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide (CID 55611108) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide is CCN(CC)C(=O)COc1ccc(NC(=O)CCOC(C)C)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide?
The InChIKey is WAZGFXKRLNNMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4/c1-5-21(6-2)18(23)12-25-16-8-7-14(11-15(16)19)20-17(22)9-10-24-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,20,22).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide has a molecular weight of 370.88 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 55611108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).