(2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide

C25H35N3O3 — CID 98306609

IUPAC(2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C25H35N3O3/c1-5-17-28(18-24(29)27-22-13-9-10-14-23(22)31-4)20(3)25(30)26-19(2)15-16-21-11-7-6-8-12-21/h6-14,19-20H,5,15-18H2,1-4H3,(H,26,30)(H,27,29)/t19-,20-/m1/s1
InChIKeyGVBHHWBHTLZXFM-WOJBJXKFSA-N
MW425.57 g/mol
LogP3.87
Rot. Bonds12

About (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide

(2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 98306609) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID98306609
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C25H35N3O3/c1-5-17-28(18-24(29)27-22-13-9-10-14-23(22)31-4)20(3)25(30)26-19(2)15-16-21-11-7-6-8-12-21/h6-14,19-20H,5,15-18H2,1-4H3,(H,26,30)(H,27,29)/t19-,20-/m1/s1
InChIKeyGVBHHWBHTLZXFM-WOJBJXKFSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
CID 62827296
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 112769408
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
2-[2-methoxyethyl(3-phenylpropyl)amino]-N-(2-methoxyphenyl)acetamide
CID 86860860
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896
N-(3-bromophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112798835
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 38120268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 98306609) is (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide is CCCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is GVBHHWBHTLZXFM-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-5-17-28(18-24(29)27-22-13-9-10-14-23(22)31-4)20(3)25(30)26-19(2)15-16-21-11-7-6-8-12-21/h6-14,19-20H,5,15-18H2,1-4H3,(H,26,30)(H,27,29)/t19-,20-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
(2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 425.57 g/mol, XLogP of 3.87, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 98306609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).