2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide

C12H17N3O3 — CID 63367394

IUPAC2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
SMILESCC(Oc1cccc([C@H](C)N)c1)C(=O)NC(N)=O
InChIInChI=1S/C12H17N3O3/c1-7(13)9-4-3-5-10(6-9)18-8(2)11(16)15-12(14)17/h3-8H,13H2,1-2H3,(H3,14,15,16,17)/t7-,8?/m0/s1
InChIKeyNNAIGSBTQFBTCJ-JAMMHHFISA-N
MW251.29 g/mol
LogP0.67
Rot. Bonds4

About 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide

2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide (PubChem CID 63367394) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
PubChem CID63367394
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
SMILESCC(Oc1cccc([C@H](C)N)c1)C(=O)NC(N)=O
InChIInChI=1S/C12H17N3O3/c1-7(13)9-4-3-5-10(6-9)18-8(2)11(16)15-12(14)17/h3-8H,13H2,1-2H3,(H3,14,15,16,17)/t7-,8?/m0/s1
InChIKeyNNAIGSBTQFBTCJ-JAMMHHFISA-N
XLogP0.67
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
CID 43116403
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190570
N-carbamoyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930610
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide?
The IUPAC name of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide (CID 63367394) is 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide?
The canonical SMILES for 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide is CC(Oc1cccc([C@H](C)N)c1)C(=O)NC(N)=O.
What is the InChIKey of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide?
The InChIKey is NNAIGSBTQFBTCJ-JAMMHHFISA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7(13)9-4-3-5-10(6-9)18-8(2)11(16)15-12(14)17/h3-8H,13H2,1-2H3,(H3,14,15,16,17)/t7-,8?/m0/s1.
What are the key properties of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide?
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide has a molecular weight of 251.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide is sourced from PubChem (CID 63367394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).