N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide

C14H20N2O2 — CID 113383761

IUPACN-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1ccccc1O
InChIInChI=1S/C14H20N2O2/c1-10(12-4-2-3-5-13(12)17)15-8-9-16-14(18)11-6-7-11/h2-5,10-11,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyNVBZARJTRSCYCU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 113383761) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID113383761
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1ccccc1O
InChIInChI=1S/C14H20N2O2/c1-10(12-4-2-3-5-13(12)17)15-8-9-16-14(18)11-6-7-11/h2-5,10-11,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyNVBZARJTRSCYCU-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113259819
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429
N-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 114910077
N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706405
N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115905342
N-[2-[1-(3-nitrophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115574213
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide (CID 113383761) is N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)c1ccccc1O.
What is the InChIKey of N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is NVBZARJTRSCYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(12-4-2-3-5-13(12)17)15-8-9-16-14(18)11-6-7-11/h2-5,10-11,15,17H,6-9H2,1H3,(H,16,18).
What are the key properties of N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113383761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).