N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

C18H29N3O3 — CID 24507139

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N(C)CC(=O)NC(C)C)cc1
InChIInChI=1S/C18H29N3O3/c1-13(2)20-17(22)12-21(4)14(3)18(23)19-11-10-15-6-8-16(24-5)9-7-15/h6-9,13-14H,10-12H2,1-5H3,(H,19,23)(H,20,22)
InChIKeyVENGXQZTVRBTBB-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.20
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (PubChem CID 24507139) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
PubChem CID24507139
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N(C)CC(=O)NC(C)C)cc1
InChIInChI=1S/C18H29N3O3/c1-13(2)20-17(22)12-21(4)14(3)18(23)19-11-10-15-6-8-16(24-5)9-7-15/h6-9,13-14H,10-12H2,1-5H3,(H,19,23)(H,20,22)
InChIKeyVENGXQZTVRBTBB-UHFFFAOYSA-N
XLogP1.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681805
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 8555354
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46561916
2-[1-cyclopropylethyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 134022522
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24506938
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (CID 24507139) is N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is COc1ccc(CCNC(=O)C(C)N(C)CC(=O)NC(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is VENGXQZTVRBTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)20-17(22)12-21(4)14(3)18(23)19-11-10-15-6-8-16(24-5)9-7-15/h6-9,13-14H,10-12H2,1-5H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide has a molecular weight of 335.45 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 24507139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).