(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide

C18H28N2O4 — CID 155543448

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide
SMILESCN(CCc1ccccc1)C(=O)CCNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C18H28N2O4/c1-18(2,13-21)16(23)17(24)19-11-9-15(22)20(3)12-10-14-7-5-4-6-8-14/h4-8,16,21,23H,9-13H2,1-3H3,(H,19,24)/t16-/m0/s1
InChIKeyLAYZFZDNUJIZRS-INIZCTEOSA-N
MW336.43 g/mol
LogP0.57
Rot. Bonds9

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide (PubChem CID 155543448) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide
PubChem CID155543448
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide
SMILESCN(CCc1ccccc1)C(=O)CCNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C18H28N2O4/c1-18(2,13-21)16(23)17(24)19-11-9-15(22)20(3)12-10-14-7-5-4-6-8-14/h4-8,16,21,23H,9-13H2,1-3H3,(H,19,24)/t16-/m0/s1
InChIKeyLAYZFZDNUJIZRS-INIZCTEOSA-N
XLogP0.57
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide with MolForge

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Related Compounds

(2R)-N-[3-(benzylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172418
N-[2-[(2-fluoroacetyl)-(3-phenylpropyl)amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 123708494
N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 118272081
N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138013236
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 125469715
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
4-[methyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
CID 142214555
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(6-naphthalen-1-yl-3,4-dioxohexyl)butanamide
CID 148588467
(2R)-N'-benzyl-2,4-dihydroxy-3,3-dimethylbutanehydrazide
CID 3048066

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide (CID 155543448) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide is CN(CCc1ccccc1)C(=O)CCNC(=O)[C@H](O)C(C)(C)CO.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide?
The InChIKey is LAYZFZDNUJIZRS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,13-21)16(23)17(24)19-11-9-15(22)20(3)12-10-14-7-5-4-6-8-14/h4-8,16,21,23H,9-13H2,1-3H3,(H,19,24)/t16-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide has a molecular weight of 336.43 g/mol, XLogP of 0.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide is sourced from PubChem (CID 155543448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).