N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide

C15H23N3O3 — CID 63062222

IUPACN-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCC(C)CNCc1ccccc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C15H23N3O3/c1-10(2)8-17-9-12-6-4-5-7-13(12)21-11(3)14(19)18-15(16)20/h4-7,10-11,17H,8-9H2,1-3H3,(H3,16,18,19,20)
InChIKeyAUBNLJFSMSWAPF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.39
Rot. Bonds7

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

N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide (PubChem CID 63062222) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide
PubChem CID63062222
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide
SMILESCC(C)CNCc1ccccc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C15H23N3O3/c1-10(2)8-17-9-12-6-4-5-7-13(12)21-11(3)14(19)18-15(16)20/h4-7,10-11,17H,8-9H2,1-3H3,(H3,16,18,19,20)
InChIKeyAUBNLJFSMSWAPF-UHFFFAOYSA-N
XLogP1.39
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
(2R)-N-carbamoyl-2-(2-propan-2-ylphenoxy)propanamide
CID 95358323
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
N-(2-methylpropyl)-2-[(2-propan-2-yloxyphenyl)methylamino]acetamide
CID 115621831
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43277213
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide (CID 63062222) is N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide is CC(C)CNCc1ccccc1OC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide?
The InChIKey is AUBNLJFSMSWAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)8-17-9-12-6-4-5-7-13(12)21-11(3)14(19)18-15(16)20/h4-7,10-11,17H,8-9H2,1-3H3,(H3,16,18,19,20).
What are the key properties of N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide?
N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-[(2-methylpropylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 63062222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).