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

C14H30N4O2 — CID 76929727

IUPACN-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCN(CC)CC(C)NC(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C14H30N4O2/c1-6-14(7-2,12(15)17-20)13(19)16-11(5)10-18(8-3)9-4/h11,20H,6-10H2,1-5H3,(H2,15,17)(H,16,19)
InChIKeyNOMBQPJQAKXKLK-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.39
Rot. Bonds9

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

N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76929727) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76929727
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC NameN-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCN(CC)CC(C)NC(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C14H30N4O2/c1-6-14(7-2,12(15)17-20)13(19)16-11(5)10-18(8-3)9-4/h11,20H,6-10H2,1-5H3,(H2,15,17)(H,16,19)
InChIKeyNOMBQPJQAKXKLK-UHFFFAOYSA-N
XLogP1.39
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.39
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-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921205
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methylpentan-3-yl)butanamide
CID 76921401
N-(4-amino-4-oxobutan-2-yl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 104870496
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
CID 83023535
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
2-ethyl-N-[1-(furan-2-yl)propan-2-yl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921454
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114292493
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 76921352
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 76928560
N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 104864369
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921300

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76929727) is N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCN(CC)CC(C)NC(=O)C(CC)(CC)C(N)=NO.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is NOMBQPJQAKXKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-6-14(7-2,12(15)17-20)13(19)16-11(5)10-18(8-3)9-4/h11,20H,6-10H2,1-5H3,(H2,15,17)(H,16,19).
What are the key properties of N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 286.42 g/mol, XLogP of 1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76929727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).