N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide

C23H30N2O5 — CID 55902579

IUPACN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1ccc(OC)cc1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C23H30N2O5/c1-6-20(19-9-7-8-10-21(19)29-15-22(26)25(3)4)24-23(27)16(2)30-18-13-11-17(28-5)12-14-18/h7-14,16,20H,6,15H2,1-5H3,(H,24,27)
InChIKeyPHZBURJWNXXJAC-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.20
Rot. Bonds10

About N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 55902579) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID55902579
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1ccc(OC)cc1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C23H30N2O5/c1-6-20(19-9-7-8-10-21(19)29-15-22(26)25(3)4)24-23(27)16(2)30-18-13-11-17(28-5)12-14-18/h7-14,16,20H,6,15H2,1-5H3,(H,24,27)
InChIKeyPHZBURJWNXXJAC-UHFFFAOYSA-N
XLogP3.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]acetamide
CID 55901043
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55902697
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide
CID 60534764
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 55901041
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55958606
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 94472552
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
N,N-dimethyl-2-[2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279578

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide (CID 55902579) is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide is CCC(NC(=O)C(C)Oc1ccc(OC)cc1)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is PHZBURJWNXXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-6-20(19-9-7-8-10-21(19)29-15-22(26)25(3)4)24-23(27)16(2)30-18-13-11-17(28-5)12-14-18/h7-14,16,20H,6,15H2,1-5H3,(H,24,27).
What are the key properties of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide?
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 414.50 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 55902579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).