2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide

C14H23N3O3 — CID 76921454

IUPAC2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(=O)NC(C)Cc1ccco1)C(N)=NO
InChIInChI=1S/C14H23N3O3/c1-4-14(5-2,12(15)17-19)13(18)16-10(3)9-11-7-6-8-20-11/h6-8,10,19H,4-5,9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyKKUOOEWUHXPHGL-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.88
Rot. Bonds7

About 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide

2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76921454) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76921454
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(=O)NC(C)Cc1ccco1)C(N)=NO
InChIInChI=1S/C14H23N3O3/c1-4-14(5-2,12(15)17-19)13(18)16-10(3)9-11-7-6-8-20-11/h6-8,10,19H,4-5,9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyKKUOOEWUHXPHGL-UHFFFAOYSA-N
XLogP1.88
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
2-amino-N-[1-(furan-2-yl)propan-2-yl]pentanamide
CID 43705248
3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
CID 56796180
2-[1-(furan-2-yl)propan-2-ylamino]butanamide
CID 62899658
N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084172
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499
(2S)-2-amino-N-[1-(furan-2-yl)propan-2-yl]hexanamide
CID 103950106
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methylpentan-3-yl)butanamide
CID 76921401
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide
CID 98205277

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76921454) is 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(CC)(C(=O)NC(C)Cc1ccco1)C(N)=NO.
What is the InChIKey of 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is KKUOOEWUHXPHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-14(5-2,12(15)17-19)13(18)16-10(3)9-11-7-6-8-20-11/h6-8,10,19H,4-5,9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide?
2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 281.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76921454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).