N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

C14H29N3O4 — CID 82938492

IUPACN,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCCOCCN(CCOCC)C(=O)C(C(N)=NO)C(C)C
InChIInChI=1S/C14H29N3O4/c1-5-20-9-7-17(8-10-21-6-2)14(18)12(11(3)4)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16)
InChIKeySMRLECJKEHEDKM-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.91
Rot. Bonds11

About N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (PubChem CID 82938492) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
PubChem CID82938492
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC NameN,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCCOCCN(CCOCC)C(=O)C(C(N)=NO)C(C)C
InChIInChI=1S/C14H29N3O4/c1-5-20-9-7-17(8-10-21-6-2)14(18)12(11(3)4)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16)
InChIKeySMRLECJKEHEDKM-UHFFFAOYSA-N
XLogP0.91
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide
CID 76926122
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
CID 76924055
2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
CID 104553323
N-butan-2-yl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926234
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844
4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925783
2-bromo-N,N-bis(2-ethoxyethyl)butanamide
CID 82966254

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (CID 82938492) is N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is CCOCCN(CCOCC)C(=O)C(C(N)=NO)C(C)C.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The InChIKey is SMRLECJKEHEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-5-20-9-7-17(8-10-21-6-2)14(18)12(11(3)4)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide has a molecular weight of 303.40 g/mol, XLogP of 0.91, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is sourced from PubChem (CID 82938492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).