N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide

C14H19N3O3 — CID 43277090

IUPACN-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
SMILESCC(Oc1ccc(CNC2CC2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C14H19N3O3/c1-9(13(18)17-14(15)19)20-12-6-2-10(3-7-12)8-16-11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3,(H3,15,17,18,19)
InChIKeyYFAQTXFQWMTKSP-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.90
Rot. Bonds6

About N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide

N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide (PubChem CID 43277090) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
PubChem CID43277090
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
SMILESCC(Oc1ccc(CNC2CC2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C14H19N3O3/c1-9(13(18)17-14(15)19)20-12-6-2-10(3-7-12)8-16-11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3,(H3,15,17,18,19)
InChIKeyYFAQTXFQWMTKSP-UHFFFAOYSA-N
XLogP0.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
CID 43277091
N-carbamoyl-2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79781513
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504090
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190570
N-carbamoyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930610
N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276998
ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
CID 83034609
2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 43116380

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide (CID 43277090) is N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide is CC(Oc1ccc(CNC2CC2)cc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide?
The InChIKey is YFAQTXFQWMTKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(13(18)17-14(15)19)20-12-6-2-10(3-7-12)8-16-11-4-5-11/h2-3,6-7,9,11,16H,4-5,8H2,1H3,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide?
N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide has a molecular weight of 277.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 43277090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).