N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide

C16H24FN3O3 — CID 42960410

IUPACN-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C16H24FN3O3/c1-4-18-16(22)19-15(21)12(2)20(3)10-5-11-23-14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,21,22)
InChIKeyAWLJMTMUJLXVKM-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.76
Rot. Bonds8

About N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide

N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide (PubChem CID 42960410) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
PubChem CID42960410
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC NameN-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C16H24FN3O3/c1-4-18-16(22)19-15(21)12(2)20(3)10-5-11-23-14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,21,22)
InChIKeyAWLJMTMUJLXVKM-UHFFFAOYSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 17399068
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 37115733
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444904
(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 26005700
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 78818776
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 2585392

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide (CID 42960410) is N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide is CCNC(=O)NC(=O)C(C)N(C)CCCOc1ccc(F)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The InChIKey is AWLJMTMUJLXVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-4-18-16(22)19-15(21)12(2)20(3)10-5-11-23-14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,21,22).
What are the key properties of N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide has a molecular weight of 325.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide is sourced from PubChem (CID 42960410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).