(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide

C15H23N3O3 — CID 94817705

IUPAC(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCCOc1cccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC)c1
InChIInChI=1S/C15H23N3O3/c1-5-21-13-8-6-7-12(9-13)10(2)17-11(3)14(19)18-15(20)16-4/h6-11,17H,5H2,1-4H3,(H2,16,18,19,20)/t10-,11+/m0/s1
InChIKeyBJAWEDVPLGKIGP-WDEREUQCSA-N
MW293.37 g/mol
LogP1.58
Rot. Bonds6

About (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide

(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 94817705) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID94817705
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCCOc1cccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC)c1
InChIInChI=1S/C15H23N3O3/c1-5-21-13-8-6-7-12(9-13)10(2)17-11(3)14(19)18-15(20)16-4/h6-11,17H,5H2,1-4H3,(H2,16,18,19,20)/t10-,11+/m0/s1
InChIKeyBJAWEDVPLGKIGP-WDEREUQCSA-N
XLogP1.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
CID 94641410
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
CID 51088764
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
CID 115705702
(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
CID 94104980
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 9410199

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide (CID 94817705) is (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide is CCOc1cccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC)c1.
What is the InChIKey of (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is BJAWEDVPLGKIGP-WDEREUQCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-21-13-8-6-7-12(9-13)10(2)17-11(3)14(19)18-15(20)16-4/h6-11,17H,5H2,1-4H3,(H2,16,18,19,20)/t10-,11+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 94817705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).