3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide

C17H27FN4O2 — CID 126824367

IUPAC3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
SMILESCN(C)CCN(CCC(=O)Nc1cccc(F)c1)CC(=O)N(C)C
InChIInChI=1S/C17H27FN4O2/c1-20(2)10-11-22(13-17(24)21(3)4)9-8-16(23)19-15-7-5-6-14(18)12-15/h5-7,12H,8-11,13H2,1-4H3,(H,19,23)
InChIKeyDQRITRLVKWSAOU-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.11
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide

3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide (PubChem CID 126824367) has the molecular formula C17H27FN4O2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
PubChem CID126824367
Molecular FormulaC17H27FN4O2
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Name3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
SMILESCN(C)CCN(CCC(=O)Nc1cccc(F)c1)CC(=O)N(C)C
InChIInChI=1S/C17H27FN4O2/c1-20(2)10-11-22(13-17(24)21(3)4)9-8-16(23)19-15-7-5-6-14(18)12-15/h5-7,12H,8-11,13H2,1-4H3,(H,19,23)
InChIKeyDQRITRLVKWSAOU-UHFFFAOYSA-N
XLogP1.11
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 134064922
2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62026089
3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
CID 86885988

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide (CID 126824367) is 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide is CN(C)CCN(CCC(=O)Nc1cccc(F)c1)CC(=O)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide?
The InChIKey is DQRITRLVKWSAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O2/c1-20(2)10-11-22(13-17(24)21(3)4)9-8-16(23)19-15-7-5-6-14(18)12-15/h5-7,12H,8-11,13H2,1-4H3,(H,19,23).
What are the key properties of 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide?
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide has a molecular weight of 338.43 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 126824367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).