1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide

C15H27N3O3 — CID 76919474

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CCCCCC1)C1CCCO1
InChIInChI=1S/C15H27N3O3/c1-11(12-7-6-10-21-12)17-14(19)15(13(16)18-20)8-4-2-3-5-9-15/h11-12,20H,2-10H2,1H3,(H2,16,18)(H,17,19)
InChIKeyZLJXAOWVGMWBDD-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.76
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide (PubChem CID 76919474) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
PubChem CID76919474
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CCCCCC1)C1CCCO1
InChIInChI=1S/C15H27N3O3/c1-11(12-7-6-10-21-12)17-14(19)15(13(16)18-20)8-4-2-3-5-9-15/h11-12,20H,2-10H2,1H3,(H2,16,18)(H,17,19)
InChIKeyZLJXAOWVGMWBDD-UHFFFAOYSA-N
XLogP1.76
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.76
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'}

Analyze 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096067
1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80589003
N-(1-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920486
N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77020487
N-(1-cyclohexylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596677
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728554
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 106346880
2-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 76924918
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 7346762
3-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119944639
1-(oxolan-2-yl)ethylthiourea
CID 43533883
N-hexan-3-yl-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76935982

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide (CID 76919474) is 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide is CC(NC(=O)C1(C(N)=NO)CCCCCC1)C1CCCO1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide?
The InChIKey is ZLJXAOWVGMWBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(12-7-6-10-21-12)17-14(19)15(13(16)18-20)8-4-2-3-5-9-15/h11-12,20H,2-10H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 76919474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).