N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide

C14H27N3O3 — CID 102865941

IUPACN-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide
SMILESCCC(CC)(C(=O)N(CCCO)C1CCC1)C(N)=NO
InChIInChI=1S/C14H27N3O3/c1-3-14(4-2,12(15)16-20)13(19)17(9-6-10-18)11-7-5-8-11/h11,18,20H,3-10H2,1-2H3,(H2,15,16)
InChIKeyRBUXFWIOVGYYEE-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.30
Rot. Bonds8

About N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide

N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide (PubChem CID 102865941) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound NameN-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide
PubChem CID102865941
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide
SMILESCCC(CC)(C(=O)N(CCCO)C1CCC1)C(N)=NO
InChIInChI=1S/C14H27N3O3/c1-3-14(4-2,12(15)16-20)13(19)17(9-6-10-18)11-7-5-8-11/h11,18,20H,3-10H2,1-2H3,(H2,15,16)
InChIKeyRBUXFWIOVGYYEE-UHFFFAOYSA-N
XLogP1.30
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.30
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

N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
CID 76921421
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 102861246
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide
CID 76924910
N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114292655
N-butyl-N,2-diethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920876
2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide
CID 55140482
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide
CID 76925166
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
N-[2-(cyclopropylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76921536
2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 102861281
N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide
CID 76921166
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropanamide
CID 102862067

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide?
The IUPAC name of N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide (CID 102865941) is N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide?
The canonical SMILES for N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide is CCC(CC)(C(=O)N(CCCO)C1CCC1)C(N)=NO.
What is the InChIKey of N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide?
The InChIKey is RBUXFWIOVGYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-14(4-2,12(15)16-20)13(19)17(9-6-10-18)11-7-5-8-11/h11,18,20H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide?
N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide has a molecular weight of 285.39 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 N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 102865941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).