(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide

C14H21N3O2 — CID 36515448

IUPAC(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-4-15-13(18)11(3)17-14(19)16-10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,15,18)(H2,16,17,19)/t10-,11+/m1/s1
InChIKeyHYKXVARWHAFMQE-MNOVXSKESA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds5

About (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide

(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide (PubChem CID 36515448) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
PubChem CID36515448
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-4-15-13(18)11(3)17-14(19)16-10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,15,18)(H2,16,17,19)/t10-,11+/m1/s1
InChIKeyHYKXVARWHAFMQE-MNOVXSKESA-N
XLogP1.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide 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-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
(2S)-3-hydroxy-2-(1-phenylethylcarbamoylamino)propanoic acid
CID 61189105
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 55036307
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 8750784
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
CID 47134375

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide (CID 36515448) is (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide is CCNC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide?
The InChIKey is HYKXVARWHAFMQE-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-15-13(18)11(3)17-14(19)16-10(2)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,15,18)(H2,16,17,19)/t10-,11+/m1/s1.
What are the key properties of (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide?
(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide is sourced from PubChem (CID 36515448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).