pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate

C19H23N3O3 — CID 44543958

IUPACpyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccncc1)C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-15(21-19(24)25-14-17-8-11-20-12-9-17)18(23)22(2)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyKSUDEAAOGMDTOM-HNNXBMFYSA-N
MW341.41 g/mol
LogP2.40
Rot. Bonds7

About pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate

pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 44543958) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID44543958
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namepyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccncc1)C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-15(21-19(24)25-14-17-8-11-20-12-9-17)18(23)22(2)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyKSUDEAAOGMDTOM-HNNXBMFYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R)-1-[methyl(3-phenylpropyl)amino]-1-oxopropan-2-yl]carbamate
CID 10360786
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
benzyl N-[(2S)-3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]carbamate
CID 154334566
pyridin-4-ylmethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 90470317
pyridin-4-ylmethyl (3R)-5-(4-hydroxyphenyl)-3-[methyl(2-phenylethyl)carbamoyl]pentanoate;hydrochloride
CID 161246812
benzyl N-[(2S)-1-[[(2S)-1-[[carbamoyl-[(E)-4-[methyl(2-phenylethyl)amino]-4-oxobut-2-enoyl]amino]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 68879739
benzyl N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]carbamate
CID 8965653
(2S)-4-methyl-2-[[2-[methyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]pentanoic acid
CID 135173034
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[(1R,2S)-1-hydroxy-1-pyridin-4-ylpropan-2-yl]carbamate
CID 86630532
benzyl N-(4-chloro-3-oxobutan-2-yl)carbamate
CID 14021709

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate (CID 44543958) is pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccncc1)C(=O)N(C)CCc1ccccc1.
What is the InChIKey of pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is KSUDEAAOGMDTOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15(21-19(24)25-14-17-8-11-20-12-9-17)18(23)22(2)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate?
pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl N-[(2S)-1-[methyl(2-phenylethyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 44543958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).