N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide

C16H22N2O3 — CID 5091509

IUPACN-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NN=C2CCCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-20-14-8-10-15(11-9-14)21-12-16(19)18-17-13-6-4-2-3-5-7-13/h8-11H,2-7,12H2,1H3,(H,18,19)
InChIKeySBPVPEUTAHCRCI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.90
Rot. Bonds5

About N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide

N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide (PubChem CID 5091509) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
PubChem CID5091509
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NN=C2CCCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-20-14-8-10-15(11-9-14)21-12-16(19)18-17-13-6-4-2-3-5-7-13/h8-11H,2-7,12H2,1H3,(H,18,19)
InChIKeySBPVPEUTAHCRCI-UHFFFAOYSA-N
XLogP2.90
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3652246
N-(cyclooctylideneamino)-2-naphthalen-2-yloxyacetamide
CID 4674505
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
2-(4-methoxyphenoxy)-N-[(Z)-thiolan-3-ylideneamino]acetamide
CID 5400844
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
CID 4632362

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide (CID 5091509) is N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NN=C2CCCCCC2)cc1.
What is the InChIKey of N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is SBPVPEUTAHCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-14-8-10-15(11-9-14)21-12-16(19)18-17-13-6-4-2-3-5-7-13/h8-11H,2-7,12H2,1H3,(H,18,19).
What are the key properties of N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide?
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 290.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 5091509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).