(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide

C18H26N2O3 — CID 95778184

IUPAC(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
SMILESCC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](CC(N)=O)C2CC2)c1
InChIInChI=1S/C18H26N2O3/c1-11(2)14-5-4-6-15(9-14)23-12(3)18(22)20-16(10-17(19)21)13-7-8-13/h4-6,9,11-13,16H,7-8,10H2,1-3H3,(H2,19,21)(H,20,22)/t12-,16+/m1/s1
InChIKeyXLLKWQNJJRMQPY-WBMJQRKESA-N
MW318.42 g/mol
LogP2.35
Rot. Bonds8

About (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide

(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide (PubChem CID 95778184) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
PubChem CID95778184
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
SMILESCC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](CC(N)=O)C2CC2)c1
InChIInChI=1S/C18H26N2O3/c1-11(2)14-5-4-6-15(9-14)23-12(3)18(22)20-16(10-17(19)21)13-7-8-13/h4-6,9,11-13,16H,7-8,10H2,1-3H3,(H2,19,21)(H,20,22)/t12-,16+/m1/s1
InChIKeyXLLKWQNJJRMQPY-WBMJQRKESA-N
XLogP2.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide with MolForge

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Related Compounds

(3R)-3-cyclopropyl-3-[[(2S)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide
CID 95778185
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate
CID 52652389
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119615423
N-(2-amino-1-cyclopropylethyl)-2-(3,4-dichlorophenoxy)propanamide;hydrochloride
CID 119613645
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
CID 63367394

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide?
The IUPAC name of (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide (CID 95778184) is (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide?
The canonical SMILES for (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide is CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](CC(N)=O)C2CC2)c1.
What is the InChIKey of (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide?
The InChIKey is XLLKWQNJJRMQPY-WBMJQRKESA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11(2)14-5-4-6-15(9-14)23-12(3)18(22)20-16(10-17(19)21)13-7-8-13/h4-6,9,11-13,16H,7-8,10H2,1-3H3,(H2,19,21)(H,20,22)/t12-,16+/m1/s1.
What are the key properties of (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide?
(3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-3-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]propanamide is sourced from PubChem (CID 95778184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).