2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C16H22N4O2 — CID 122095961

IUPAC2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESN/C(=N\CC(=O)NC1CCOc2ccccc21)NC1CCC1
InChIInChI=1S/C16H22N4O2/c17-16(19-11-4-3-5-11)18-10-15(21)20-13-8-9-22-14-7-2-1-6-12(13)14/h1-2,6-7,11,13H,3-5,8-10H2,(H,20,21)(H3,17,18,19)
InChIKeyVTSBVRHRWWPFOI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.08
Rot. Bonds4

About 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 122095961) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID122095961
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESN/C(=N\CC(=O)NC1CCOc2ccccc21)NC1CCC1
InChIInChI=1S/C16H22N4O2/c17-16(19-11-4-3-5-11)18-10-15(21)20-13-8-9-22-14-7-2-1-6-12(13)14/h1-2,6-7,11,13H,3-5,8-10H2,(H,20,21)(H3,17,18,19)
InChIKeyVTSBVRHRWWPFOI-UHFFFAOYSA-N
XLogP1.08
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroprop-2-enyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 119147890
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
2-(2-cyclobutyl-2-methylpropyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 122097645
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
1-(3,4-dihydro-2H-chromen-4-yl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913382
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 119140657
2-bromo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 19694270
1-(3,4-dihydro-2H-chromen-4-yl)-2-(oxan-2-ylmethyl)guanidine
CID 119140904
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111597519
3-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 119140846
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 122095961) is 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is N/C(=N\CC(=O)NC1CCOc2ccccc21)NC1CCC1.
What is the InChIKey of 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is VTSBVRHRWWPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-16(19-11-4-3-5-11)18-10-15(21)20-13-8-9-22-14-7-2-1-6-12(13)14/h1-2,6-7,11,13H,3-5,8-10H2,(H,20,21)(H3,17,18,19).
What are the key properties of 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclobutylamino)methylidene]amino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 122095961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).