(Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide

C10H18N2O4 — CID 142186690

IUPAC(Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\N(C=O)CCC(CO)CO
InChIInChI=1S/C10H18N2O4/c1-11-10(16)3-5-12(8-15)4-2-9(6-13)7-14/h3,5,8-9,13-14H,2,4,6-7H2,1H3,(H,11,16)/b5-3-
InChIKeyRNZMHWXMCWTVSC-HYXAFXHYSA-N
MW230.26 g/mol
LogP-1.30
Rot. Bonds8

About (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide

(Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide (PubChem CID 142186690) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide
PubChem CID142186690
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\N(C=O)CCC(CO)CO
InChIInChI=1S/C10H18N2O4/c1-11-10(16)3-5-12(8-15)4-2-9(6-13)7-14/h3,5,8-9,13-14H,2,4,6-7H2,1H3,(H,11,16)/b5-3-
InChIKeyRNZMHWXMCWTVSC-HYXAFXHYSA-N
XLogP-1.30
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide
CID 139378805
(Z)-3-[[4-(1,5-dihydro-2,4,3-benzodioxaphosphepin-3-yloxy)-3-methoxybutyl]-formylamino]-N-methylprop-2-enamide
CID 172580777
N,N'-dimethylbut-2-enediamide
CID 54344026
(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide
CID 143719526
(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide
CID 102438921
4-(methylamino)-4-oxobut-2-enoate
CID 6992861
(E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide
CID 139341096
acetaldehyde;2-(hydroxymethyl)propane-1,3-diol;methanamine
CID 142904970
acetylene;tert-butyl (2S,4S)-4-[formyl-[(Z)-3-(methylamino)-3-oxoprop-1-enyl]amino]-2-methoxypentanoate;ethane;2-methoxypropan-2-ol
CID 145045781
(Z)-N-methyl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide
CID 90066059
methane;methyl (Z)-4-(methylamino)-4-oxobut-2-enoate
CID 162090264
(E)-N-methyl-4-oxohex-2-enamide
CID 135176145

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide (CID 142186690) is (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide is CNC(=O)/C=C\N(C=O)CCC(CO)CO.
What is the InChIKey of (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide?
The InChIKey is RNZMHWXMCWTVSC-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11-10(16)3-5-12(8-15)4-2-9(6-13)7-14/h3,5,8-9,13-14H,2,4,6-7H2,1H3,(H,11,16)/b5-3-.
What are the key properties of (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide?
(Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide has a molecular weight of 230.26 g/mol, XLogP of -1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide is sourced from PubChem (CID 142186690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).