(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide

C21H26N2O2 — CID 42563153

IUPAC(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
SMILESC[C@H](CC(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-15(21(25)23-17(3)19-12-8-5-9-13-19)14-20(24)22-16(2)18-10-6-4-7-11-18/h4-13,15-17H,14H2,1-3H3,(H,22,24)(H,23,25)/t15-,16-,17-/m1/s1
InChIKeyJNDAQUMQXJWVKQ-BRWVUGGUSA-N
MW338.45 g/mol
LogP3.77
Rot. Bonds7

About (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide

(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide (PubChem CID 42563153) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide.

Molecular Properties

Compound Name(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
PubChem CID42563153
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
SMILESC[C@H](CC(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-15(21(25)23-17(3)19-12-8-5-9-13-19)14-20(24)22-16(2)18-10-6-4-7-11-18/h4-13,15-17H,14H2,1-3H3,(H,22,24)(H,23,25)/t15-,16-,17-/m1/s1
InChIKeyJNDAQUMQXJWVKQ-BRWVUGGUSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
CID 10040229
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide?
The IUPAC name of (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide (CID 42563153) is (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide.
What is the SMILES notation for (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide?
The canonical SMILES for (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide is C[C@H](CC(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide?
The InChIKey is JNDAQUMQXJWVKQ-BRWVUGGUSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(21(25)23-17(3)19-12-8-5-9-13-19)14-20(24)22-16(2)18-10-6-4-7-11-18/h4-13,15-17H,14H2,1-3H3,(H,22,24)(H,23,25)/t15-,16-,17-/m1/s1.
What are the key properties of (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide?
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide has a molecular weight of 338.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide is sourced from PubChem (CID 42563153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).