N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide

C14H27N3O2 — CID 143852089

IUPACN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(C)C(=O)/N=C(N)/C=C(\O)C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-9(2)17-14(6,7)12(19)16-11(15)8-10(18)13(3,4)5/h8-9,17-18H,1-7H3,(H2,15,16,19)/b10-8-
InChIKeyKNZFOLCQOPHHIJ-NTMALXAHSA-N
MW269.39 g/mol
LogP2.13
Rot. Bonds4

About N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide

N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide (PubChem CID 143852089) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide
PubChem CID143852089
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(C)C(=O)/N=C(N)/C=C(\O)C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-9(2)17-14(6,7)12(19)16-11(15)8-10(18)13(3,4)5/h8-9,17-18H,1-7H3,(H2,15,16,19)/b10-8-
InChIKeyKNZFOLCQOPHHIJ-NTMALXAHSA-N
XLogP2.13
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide
CID 143852082
N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-fluoro-3-hydroxyphenyl)sulfanyl-2-methylpropanamide
CID 143618464
N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese
CID 162748847
methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate
CID 54675983
copper;bis((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 53393500
chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 5148179
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
CID 71311421
bis(cobalt(3+));tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 170922988
CID 6849360
CID 6849360
(2S)-2-(tert-butylamino)propanamide
CID 122595245
2-(but-3-en-2-ylamino)-2-methylpropanamide
CID 107906717
dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 102601110

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide (CID 143852089) is N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(C)C(=O)/N=C(N)/C=C(\O)C(C)(C)C.
What is the InChIKey of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide?
The InChIKey is KNZFOLCQOPHHIJ-NTMALXAHSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-9(2)17-14(6,7)12(19)16-11(15)8-10(18)13(3,4)5/h8-9,17-18H,1-7H3,(H2,15,16,19)/b10-8-.
What are the key properties of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide?
N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide has a molecular weight of 269.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 143852089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).