N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide

C15H22N2O3 — CID 115602924

IUPACN-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCCOc1cccc(CNCCNC(=O)C2CC2)c1O
InChIInChI=1S/C15H22N2O3/c1-2-20-13-5-3-4-12(14(13)18)10-16-8-9-17-15(19)11-6-7-11/h3-5,11,16,18H,2,6-10H2,1H3,(H,17,19)
InChIKeyVCKFFOOMDDOIRO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds8

About N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115602924) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115602924
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCCOc1cccc(CNCCNC(=O)C2CC2)c1O
InChIInChI=1S/C15H22N2O3/c1-2-20-13-5-3-4-12(14(13)18)10-16-8-9-17-15(19)11-6-7-11/h3-5,11,16,18H,2,6-10H2,1H3,(H,17,19)
InChIKeyVCKFFOOMDDOIRO-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 30137372
N-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]cyclopropanecarboxamide
CID 115666757
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3316052
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide
CID 43551896
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701805
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
2-ethoxy-6-[(3-methylsulfanylbutylamino)methyl]phenol
CID 115604282

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide (CID 115602924) is N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide is CCOc1cccc(CNCCNC(=O)C2CC2)c1O.
What is the InChIKey of N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is VCKFFOOMDDOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-13-5-3-4-12(14(13)18)10-16-8-9-17-15(19)11-6-7-11/h3-5,11,16,18H,2,6-10H2,1H3,(H,17,19).
What are the key properties of N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115602924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).