(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide

C13H25NO — CID 14921251

IUPAC(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
SMILESC/C=C(/C)[C@@H](C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H25NO/c1-8-11(6)12(7)13(15)14(9(2)3)10(4)5/h8-10,12H,1-7H3/b11-8-/t12-/m1/s1
InChIKeyGVLAIFIUTCGAPO-NXIHDVOMSA-N
MW211.35 g/mol
LogP3.23
Rot. Bonds4

About (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide

(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide (PubChem CID 14921251) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide.

Molecular Properties

Compound Name(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
PubChem CID14921251
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
SMILESC/C=C(/C)[C@@H](C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H25NO/c1-8-11(6)12(7)13(15)14(9(2)3)10(4)5/h8-10,12H,1-7H3/b11-8-/t12-/m1/s1
InChIKeyGVLAIFIUTCGAPO-NXIHDVOMSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 101053961
(E,2R)-2,3-dimethylpent-3-enoic acid
CID 14452500
2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide
CID 11457949
methyl (Z)-2,3-dimethylpent-3-enoate
CID 134940363
2-methyl-N,N-di(propan-2-yl)pent-4-enamide
CID 13197575
(2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide
CID 10988048
2-hydroxy-N,N-di(propan-2-yl)butanamide
CID 71365964
2,3-dihydroxy-N',N'-di(propan-2-yl)butanediamide
CID 54099311
(5E)-3-chloro-2,4,5-trimethylhepta-2,5-diene
CID 146393008
N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
CID 174342776
tris(di(propan-2-yl)carbamic acid);titanium
CID 11812839
N-[di(propan-2-yl)carbamoyl]-N-methylacetamide
CID 155277037

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide?
The IUPAC name of (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide (CID 14921251) is (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide.
What is the SMILES notation for (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide?
The canonical SMILES for (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide is C/C=C(/C)[C@@H](C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide?
The InChIKey is GVLAIFIUTCGAPO-NXIHDVOMSA-N. The full InChI is InChI=1S/C13H25NO/c1-8-11(6)12(7)13(15)14(9(2)3)10(4)5/h8-10,12H,1-7H3/b11-8-/t12-/m1/s1.
What are the key properties of (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide?
(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide is sourced from PubChem (CID 14921251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).