N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide

C14H20N2O2 — CID 79394248

IUPACN-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC1CC1)c1ccccc1O
InChIInChI=1S/C14H20N2O2/c1-10(12-4-2-3-5-13(12)17)15-9-8-14(18)16-11-6-7-11/h2-5,10-11,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyANIZEIRUUGBFBM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds6

About N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide

N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide (PubChem CID 79394248) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
PubChem CID79394248
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC1CC1)c1ccccc1O
InChIInChI=1S/C14H20N2O2/c1-10(12-4-2-3-5-13(12)17)15-9-8-14(18)16-11-6-7-11/h2-5,10-11,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyANIZEIRUUGBFBM-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
CID 79394410
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109011766
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide
CID 79139425
2-[(1S)-1-[[1-[[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]methyl]cyclopropyl]methylamino]ethyl]phenol
CID 71049425
N-(1,1-dioxothiolan-3-yl)-3-(1-phenylethylamino)propanamide
CID 109020241
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 79394985

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide (CID 79394248) is N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide is CC(NCCC(=O)NC1CC1)c1ccccc1O.
What is the InChIKey of N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide?
The InChIKey is ANIZEIRUUGBFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(12-4-2-3-5-13(12)17)15-9-8-14(18)16-11-6-7-11/h2-5,10-11,15,17H,6-9H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide?
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 79394248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).