N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide

C15H23N3O3 — CID 142383780

IUPACN-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NCC(=O)Nc1ccc(CO)cc1)C(C)C
InChIInChI=1S/C15H23N3O3/c1-10(2)14(16-3)15(21)17-8-13(20)18-12-6-4-11(9-19)5-7-12/h4-7,10,14,16,19H,8-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyIALOCOHWUBUCGM-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.48
Rot. Bonds7

About N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide

N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide (PubChem CID 142383780) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
PubChem CID142383780
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NCC(=O)Nc1ccc(CO)cc1)C(C)C
InChIInChI=1S/C15H23N3O3/c1-10(2)14(16-3)15(21)17-8-13(20)18-12-6-4-11(9-19)5-7-12/h4-7,10,14,16,19H,8-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyIALOCOHWUBUCGM-UHFFFAOYSA-N
XLogP0.48
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 162518867
ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 163289881
[4-[[2-[[3-methyl-2-(methylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-methylmethanimidate
CID 166778026
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[(2S)-1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide
CID 167299308
butan-1-amine;2,6-diamino-N-[2-[[1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide;propylurea
CID 171541560
CID 177226802
CID 177226802
[4-[[2-[[3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoyl]amino]acetyl]amino]phenyl]methyl formate
CID 171804617
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide
CID 171795110
N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide
CID 155704657
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide (CID 142383780) is N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide is CNC(C(=O)NCC(=O)Nc1ccc(CO)cc1)C(C)C.
What is the InChIKey of N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
The InChIKey is IALOCOHWUBUCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)14(16-3)15(21)17-8-13(20)18-12-6-4-11(9-19)5-7-12/h4-7,10,14,16,19H,8-9H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide?
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide has a molecular weight of 293.37 g/mol, XLogP of 0.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 142383780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).