N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide

C14H29N3O2 — CID 76923560

IUPACN-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCCN(C(=O)C(CCC)C(N)=NO)C(C)CC
InChIInChI=1S/C14H29N3O2/c1-5-8-10-17(11(4)7-3)14(18)12(9-6-2)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16)
InChIKeyZJYRKTOYBPEKNQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.58
Rot. Bonds9

About N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide

N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76923560) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76923560
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCCN(C(=O)C(CCC)C(N)=NO)C(C)CC
InChIInChI=1S/C14H29N3O2/c1-5-8-10-17(11(4)7-3)14(18)12(9-6-2)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16)
InChIKeyZJYRKTOYBPEKNQ-UHFFFAOYSA-N
XLogP2.58
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
CID 107568931
2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
CID 76924759
(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 79012967
2-bromo-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 60948518
2-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylpentanamide
CID 76925117
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 76923694
3-amino-2-benzyl-N-butan-2-yl-N-ethyl-3-hydroxyiminopropanamide
CID 76926379
3-amino-N-butan-2-yl-N-butyl-2-methoxypropanamide
CID 106112047
N-butan-2-yl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926234
N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926351
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
CID 76924055
N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 107817673

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76923560) is N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCCN(C(=O)C(CCC)C(N)=NO)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is ZJYRKTOYBPEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-8-10-17(11(4)7-3)14(18)12(9-6-2)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 271.40 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76923560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).