benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate

C21H26N2O5 — CID 77199497

IUPACbenzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESCOCc1ccc(CNC(=O)C(COC)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O5/c1-26-13-18-10-8-16(9-11-18)12-22-20(24)19(15-27-2)23-21(25)28-14-17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFNACQJUVMPWFDB-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.39
Rot. Bonds10

About benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate

benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 77199497) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID77199497
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Namebenzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESCOCc1ccc(CNC(=O)C(COC)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O5/c1-26-13-18-10-8-16(9-11-18)12-22-20(24)19(15-27-2)23-21(25)28-14-17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFNACQJUVMPWFDB-UHFFFAOYSA-N
XLogP2.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2R)-3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 66870075
benzyl N-[1-(benzylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamate
CID 77420822
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 56960724
benzyl N-[(2S)-3-amino-1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 24854322
benzyl N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4805903
benzyl N-[(2R)-1-(benzylamino)-1-oxo-3-sulfanylpropan-2-yl]carbamate
CID 54125429
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
benzyl N-[1-(benzylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 56694181
ethane;2-[[4-(methoxymethyl)phenyl]methoxycarbonylamino]-3-phenylpropanoic acid
CID 90811046
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
benzyl N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18287386
(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
CID 10979254

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate (CID 77199497) is benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate is COCc1ccc(CNC(=O)C(COC)NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is FNACQJUVMPWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-26-13-18-10-8-16(9-11-18)12-22-20(24)19(15-27-2)23-21(25)28-14-17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate?
benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 386.45 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 77199497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).