(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C18H28N2O2 — CID 129432264

IUPAC(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](CN(C)[C@H](C)C(=O)NC[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14(16-8-5-4-6-9-16)13-20(3)15(2)18(21)19-12-17-10-7-11-22-17/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,19,21)/t14-,15-,17-/m1/s1
InChIKeyZFQAZKBLANEMSP-BFYDXBDKSA-N
MW304.43 g/mol
LogP2.41
Rot. Bonds7

About (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 129432264) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID129432264
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](CN(C)[C@H](C)C(=O)NC[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14(16-8-5-4-6-9-16)13-20(3)15(2)18(21)19-12-17-10-7-11-22-17/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,19,21)/t14-,15-,17-/m1/s1
InChIKeyZFQAZKBLANEMSP-BFYDXBDKSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
2-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 122135677
(2S)-2-[methyl-[(4-nitrophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97213864
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
CID 76975426

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 129432264) is (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@H](CN(C)[C@H](C)C(=O)NC[C@H]1CCCO1)c1ccccc1.
What is the InChIKey of (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is ZFQAZKBLANEMSP-BFYDXBDKSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(16-8-5-4-6-9-16)13-20(3)15(2)18(21)19-12-17-10-7-11-22-17/h4-6,8-9,14-15,17H,7,10-13H2,1-3H3,(H,19,21)/t14-,15-,17-/m1/s1.
What are the key properties of (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 129432264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).