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

C14H21N3O3 — CID 94217949

IUPAC(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
SMILESCCOc1cccc([C@@H](C)N[C@H](C)C(=O)NC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-7-5-6-11(8-12)9(2)16-10(3)13(18)17-14(15)19/h5-10,16H,4H2,1-3H3,(H3,15,17,18,19)/t9-,10-/m1/s1
InChIKeyWCMONRDDBIPZDC-NXEZZACHSA-N
MW279.34 g/mol
LogP1.32
Rot. Bonds6

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

(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide (PubChem CID 94217949) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
PubChem CID94217949
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
SMILESCCOc1cccc([C@@H](C)N[C@H](C)C(=O)NC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-7-5-6-11(8-12)9(2)16-10(3)13(18)17-14(15)19/h5-10,16H,4H2,1-3H3,(H3,15,17,18,19)/t9-,10-/m1/s1
InChIKeyWCMONRDDBIPZDC-NXEZZACHSA-N
XLogP1.32
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 94817705
N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
CID 51088764
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
CID 94641410
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
N-[1-(3-ethoxyphenyl)ethyl]butan-2-amine
CID 115705702
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 124683253
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279890
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
CID 63367394
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide (CID 94217949) is (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide is CCOc1cccc([C@@H](C)N[C@H](C)C(=O)NC(N)=O)c1.
What is the InChIKey of (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide?
The InChIKey is WCMONRDDBIPZDC-NXEZZACHSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12-7-5-6-11(8-12)9(2)16-10(3)13(18)17-14(15)19/h5-10,16H,4H2,1-3H3,(H3,15,17,18,19)/t9-,10-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide?
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 94217949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).