N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

C14H25N3O3 — CID 77014658

IUPACN-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
SMILESCCC(CC1CC1)NC(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C14H25N3O3/c1-2-11(9-10-3-4-10)16-13(18)14(12(15)17-19)5-7-20-8-6-14/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyDMZQPLDKEUSVNY-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.22
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide (PubChem CID 77014658) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
PubChem CID77014658
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
SMILESCCC(CC1CC1)NC(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C14H25N3O3/c1-2-11(9-10-3-4-10)16-13(18)14(12(15)17-19)5-7-20-8-6-14/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyDMZQPLDKEUSVNY-UHFFFAOYSA-N
XLogP1.22
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.22
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-hexan-3-yl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76935993
N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594457
4-(N'-hydroxycarbamimidoyl)-N-(1-methoxybutan-2-yl)oxane-4-carboxamide
CID 77035784
N-hexan-3-yl-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76935982
4-(N'-hydroxycarbamimidoyl)-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 76951306
1-(N'-hydroxycarbamimidoyl)-N-(1-methylsulfanylbutan-2-yl)cyclopentane-1-carboxamide
CID 113495161
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596824
N-(1-cyclopropylbutan-2-yl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77014685
N-(2-acetamidoethyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920212
N-(3-ethoxypropyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920265
N-tert-butyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920747
4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide
CID 83023534

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide (CID 77014658) is N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide is CCC(CC1CC1)NC(=O)C1(C(N)=NO)CCOCC1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The InChIKey is DMZQPLDKEUSVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-11(9-10-3-4-10)16-13(18)14(12(15)17-19)5-7-20-8-6-14/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide is sourced from PubChem (CID 77014658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).