N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide

C13H27N3O3 — CID 76924055

IUPACN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
SMILESCCC(C)N(CCOC)C(=O)C(C(N)=NO)C(C)C
InChIInChI=1S/C13H27N3O3/c1-6-10(4)16(7-8-19-5)13(17)11(9(2)3)12(14)15-18/h9-11,18H,6-8H2,1-5H3,(H2,14,15)
InChIKeyBKLORFNYPZXSFT-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.28
Rot. Bonds8

About N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide

N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide (PubChem CID 76924055) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
PubChem CID76924055
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC NameN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
SMILESCCC(C)N(CCOC)C(=O)C(C(N)=NO)C(C)C
InChIInChI=1S/C13H27N3O3/c1-6-10(4)16(7-8-19-5)13(17)11(9(2)3)12(14)15-18/h9-11,18H,6-8H2,1-5H3,(H2,14,15)
InChIKeyBKLORFNYPZXSFT-UHFFFAOYSA-N
XLogP1.28
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.28
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

N-butan-2-yl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926234
2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide
CID 76926122
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79491505
3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 76921320
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921371
2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
CID 104553323
2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76914953
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925783

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide?
The IUPAC name of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide (CID 76924055) is N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide.
What is the SMILES notation for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide?
The canonical SMILES for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide is CCC(C)N(CCOC)C(=O)C(C(N)=NO)C(C)C.
What is the InChIKey of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide?
The InChIKey is BKLORFNYPZXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-6-10(4)16(7-8-19-5)13(17)11(9(2)3)12(14)15-18/h9-11,18H,6-8H2,1-5H3,(H2,14,15).
What are the key properties of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide?
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide has a molecular weight of 273.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 76924055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).