4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide

C17H26ClN3O4 — CID 120588524

IUPAC4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CC(CN)OC)cc1Cl
InChIInChI=1S/C17H26ClN3O4/c1-4-21(5-2)17(23)11-25-15-7-6-12(8-14(15)18)20-16(22)9-13(10-19)24-3/h6-8,13H,4-5,9-11,19H2,1-3H3,(H,20,22)
InChIKeyKSDOFULDSCMRKT-UHFFFAOYSA-N
MW371.87 g/mol
LogP1.89
Rot. Bonds10

About 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide

4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide (PubChem CID 120588524) has the molecular formula C17H26ClN3O4 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
PubChem CID120588524
Molecular FormulaC17H26ClN3O4
Molecular Weight371.87 g/mol
Exact Mass371.16
IUPAC Name4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CC(CN)OC)cc1Cl
InChIInChI=1S/C17H26ClN3O4/c1-4-21(5-2)17(23)11-25-15-7-6-12(8-14(15)18)20-16(22)9-13(10-19)24-3/h6-8,13H,4-5,9-11,19H2,1-3H3,(H,20,22)
InChIKeyKSDOFULDSCMRKT-UHFFFAOYSA-N
XLogP1.89
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-chlorophenoxy)acetamide
CID 55611272
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
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
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
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
3-bromo-N-[2-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 46423639
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
CID 120590141
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide (CID 120588524) is 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide is CCN(CC)C(=O)COc1ccc(NC(=O)CC(CN)OC)cc1Cl.
What is the InChIKey of 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide?
The InChIKey is KSDOFULDSCMRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O4/c1-4-21(5-2)17(23)11-25-15-7-6-12(8-14(15)18)20-16(22)9-13(10-19)24-3/h6-8,13H,4-5,9-11,19H2,1-3H3,(H,20,22).
What are the key properties of 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide?
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide has a molecular weight of 371.87 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120588524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).