N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide

C15H22N2O3 — CID 107706794

IUPACN-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
SMILESCC(NCCCC(=O)NC1CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H22N2O3/c1-10(11-7-13(18)9-14(19)8-11)16-6-2-3-15(20)17-12-4-5-12/h7-10,12,16,18-19H,2-6H2,1H3,(H,17,20)
InChIKeyUXBUHAGPBIJOHF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.81
Rot. Bonds7

About N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide

N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide (PubChem CID 107706794) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
PubChem CID107706794
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
SMILESCC(NCCCC(=O)NC1CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H22N2O3/c1-10(11-7-13(18)9-14(19)8-11)16-6-2-3-15(20)17-12-4-5-12/h7-10,12,16,18-19H,2-6H2,1H3,(H,17,20)
InChIKeyUXBUHAGPBIJOHF-UHFFFAOYSA-N
XLogP1.81
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-cyclopropyl-4-[1-(3-nitrophenyl)ethylamino]butanamide
CID 79139820
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide
CID 79394511
N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide
CID 79380363
5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008779
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 79394985
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
N-cyclopropyl-4-(1-phenylpropylamino)butanamide
CID 79394506
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide (CID 107706794) is N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide is CC(NCCCC(=O)NC1CC1)c1cc(O)cc(O)c1.
What is the InChIKey of N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide?
The InChIKey is UXBUHAGPBIJOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(11-7-13(18)9-14(19)8-11)16-6-2-3-15(20)17-12-4-5-12/h7-10,12,16,18-19H,2-6H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide?
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide is sourced from PubChem (CID 107706794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).