N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide

C15H29N3O3 — CID 76921166

IUPACN-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide
SMILESCCC(CC)(C(=O)N(CCOC)C(C)C1CC1)C(N)=NO
InChIInChI=1S/C15H29N3O3/c1-5-15(6-2,13(16)17-20)14(19)18(9-10-21-4)11(3)12-7-8-12/h11-12,20H,5-10H2,1-4H3,(H2,16,17)
InChIKeyFEBBRPWTPRDQHV-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.81
Rot. Bonds9

About N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide

N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide (PubChem CID 76921166) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide
PubChem CID76921166
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide
SMILESCCC(CC)(C(=O)N(CCOC)C(C)C1CC1)C(N)=NO
InChIInChI=1S/C15H29N3O3/c1-5-15(6-2,13(16)17-20)14(19)18(9-10-21-4)11(3)12-7-8-12/h11-12,20H,5-10H2,1-4H3,(H2,16,17)
InChIKeyFEBBRPWTPRDQHV-UHFFFAOYSA-N
XLogP1.81
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
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-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methoxypropyl)-N-methylbutanamide
CID 55140482
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-ethyl-N-(2-methoxyethyl)butanamide
CID 55172868
2-(3,3-dimethylmorpholine-4-carbonyl)-2-ethyl-N'-hydroxybutanimidamide
CID 61838542
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-methoxypropyl)-N-methylbutanamide
CID 76209373
N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-N-(2-methoxyethyl)butanamide
CID 76211018
3-amino-N-(1-cyclopropylethyl)-3-hydroxyimino-N-(2-methoxyethyl)propanamide
CID 76912173
N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76919358
N-butan-2-yl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76919364
N,2-diethyl-2-(N'-hydroxycarbamimidoyl)-N-propan-2-ylbutanamide
CID 76919559
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
CID 76919562
N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
CID 76919763
N-butan-2-yl-N,2-diethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919769

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide (CID 76921166) is N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide is CCC(CC)(C(=O)N(CCOC)C(C)C1CC1)C(N)=NO.
What is the InChIKey of N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide?
The InChIKey is FEBBRPWTPRDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-15(6-2,13(16)17-20)14(19)18(9-10-21-4)11(3)12-7-8-12/h11-12,20H,5-10H2,1-4H3,(H2,16,17).
What are the key properties of N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide?
N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide has a molecular weight of 299.42 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 76921166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).