N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide

C14H25N3O2 — CID 80596878

IUPACN-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(CC2CC2)C(C)C)(C(N)=NO)C1
InChIInChI=1S/C14H25N3O2/c1-9(2)17(8-11-4-5-11)13(18)14(12(15)16-19)6-10(3)7-14/h9-11,19H,4-8H2,1-3H3,(H2,15,16)
InChIKeyKZRSFHFDRBTJQJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.80
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide

N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 80596878) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
PubChem CID80596878
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(CC2CC2)C(C)C)(C(N)=NO)C1
InChIInChI=1S/C14H25N3O2/c1-9(2)17(8-11-4-5-11)13(18)14(12(15)16-19)6-10(3)7-14/h9-11,19H,4-8H2,1-3H3,(H2,15,16)
InChIKeyKZRSFHFDRBTJQJ-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.80
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

N-butan-2-yl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80597583
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide
CID 104871098
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
CID 113426194
N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 80597437
N-cyclohexyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80591352
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 65465577
1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 115441989
N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80596877
N-(2-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594384
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80599261
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80597461
1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 80590754

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide (CID 80596878) is N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide is CC1CC(C(=O)N(CC2CC2)C(C)C)(C(N)=NO)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is KZRSFHFDRBTJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)17(8-11-4-5-11)13(18)14(12(15)16-19)6-10(3)7-14/h9-11,19H,4-8H2,1-3H3,(H2,15,16).
What are the key properties of N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide?
N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 80596878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).