(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide

C16H23N3O3 — CID 8750784

IUPAC(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-4-17-16(22)11(2)18-15(21)10-14(19-12(3)20)13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)/t11-,14+/m1/s1
InChIKeySBONEFVRHZRZPR-RISCZKNCSA-N
MW305.38 g/mol
LogP0.89
Rot. Bonds7

About (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide

(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide (PubChem CID 8750784) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
PubChem CID8750784
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C16H23N3O3/c1-4-17-16(22)11(2)18-15(21)10-14(19-12(3)20)13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)/t11-,14+/m1/s1
InChIKeySBONEFVRHZRZPR-RISCZKNCSA-N
XLogP0.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005
(2R)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119363670
(2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119361300
3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
CID 78781741
(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
CID 94816352
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
CID 111447233
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide (CID 8750784) is (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide is CCNC(=O)[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccccc1.
What is the InChIKey of (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The InChIKey is SBONEFVRHZRZPR-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-17-16(22)11(2)18-15(21)10-14(19-12(3)20)13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,17,22)(H,18,21)(H,19,20)/t11-,14+/m1/s1.
What are the key properties of (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 8750784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).