(2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide

C24H33N3O3 — CID 97101119

IUPAC(2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(CNc2ccccc2N2CCCC2)ccc1O[C@H](C)C(=O)N(C)C
InChIInChI=1S/C24H33N3O3/c1-5-29-23-16-19(12-13-22(23)30-18(2)24(28)26(3)4)17-25-20-10-6-7-11-21(20)27-14-8-9-15-27/h6-7,10-13,16,18,25H,5,8-9,14-15,17H2,1-4H3/t18-/m1/s1
InChIKeyCSIKQFIYVWESEK-GOSISDBHSA-N
MW411.55 g/mol
LogP4.15
Rot. Bonds9

About (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide

(2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 97101119) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID97101119
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCCOc1cc(CNc2ccccc2N2CCCC2)ccc1O[C@H](C)C(=O)N(C)C
InChIInChI=1S/C24H33N3O3/c1-5-29-23-16-19(12-13-22(23)30-18(2)24(28)26(3)4)17-25-20-10-6-7-11-21(20)27-14-8-9-15-27/h6-7,10-13,16,18,25H,5,8-9,14-15,17H2,1-4H3/t18-/m1/s1
InChIKeyCSIKQFIYVWESEK-GOSISDBHSA-N
XLogP4.15
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N,N-dimethylpropanamide
CID 119108457
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 43122479
(2S)-2-[2-ethoxy-4-[(2-imidazol-1-ylethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 32665247
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43278795
(E)-N-benzyl-2-cyano-3-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]prop-2-enamide
CID 7911739
(2R)-2-[2-ethoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylpropanamide
CID 9213816
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(difluoromethylsulfonyl)aniline
CID 78882962
2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
CID 119163603
(E)-2-cyano-3-[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]-N-(2-methylphenyl)prop-2-enamide
CID 7911766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide (CID 97101119) is (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide is CCOc1cc(CNc2ccccc2N2CCCC2)ccc1O[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is CSIKQFIYVWESEK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-29-23-16-19(12-13-22(23)30-18(2)24(28)26(3)4)17-25-20-10-6-7-11-21(20)27-14-8-9-15-27/h6-7,10-13,16,18,25H,5,8-9,14-15,17H2,1-4H3/t18-/m1/s1.
What are the key properties of (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide?
(2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 411.55 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-ethoxy-4-[(2-pyrrolidin-1-ylanilino)methyl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 97101119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).