N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide

C27H31N3O3 — CID 54845564

IUPACN,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
SMILESCN(C)C(=O)CCc1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31N3O3/c1-30(2)27(32)17-10-22-8-11-23(12-9-22)28-20-26(31)29-24-13-15-25(16-14-24)33-19-18-21-6-4-3-5-7-21/h3-9,11-16,28H,10,17-20H2,1-2H3,(H,29,31)
InChIKeyITLNKNBAVDCWGH-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.38
Rot. Bonds11

About N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide

N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide (PubChem CID 54845564) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
PubChem CID54845564
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
SMILESCN(C)C(=O)CCc1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H31N3O3/c1-30(2)27(32)17-10-22-8-11-23(12-9-22)28-20-26(31)29-24-13-15-25(16-14-24)33-19-18-21-6-4-3-5-7-21/h3-9,11-16,28H,10,17-20H2,1-2H3,(H,29,31)
InChIKeyITLNKNBAVDCWGH-UHFFFAOYSA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
3-[3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845617
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
3-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845631
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825579
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide (CID 54845564) is N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide is CN(C)C(=O)CCc1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide?
The InChIKey is ITLNKNBAVDCWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-30(2)27(32)17-10-22-8-11-23(12-9-22)28-20-26(31)29-24-13-15-25(16-14-24)33-19-18-21-6-4-3-5-7-21/h3-9,11-16,28H,10,17-20H2,1-2H3,(H,29,31).
What are the key properties of N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide?
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide has a molecular weight of 445.56 g/mol, XLogP of 4.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54845564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).