[(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate

C32H48N4O4 — CID 122454929

IUPAC[(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate
SMILESCC(C)(C)C(=O)N[C@@H](CCN1CCOCC1)CN[C@H](CC[C@H](Cc1ccccc1)OC(N)=O)Cc1ccccc1
InChIInChI=1S/C32H48N4O4/c1-32(2,3)30(37)35-28(16-17-36-18-20-39-21-19-36)24-34-27(22-25-10-6-4-7-11-25)14-15-29(40-31(33)38)23-26-12-8-5-9-13-26/h4-13,27-29,34H,14-24H2,1-3H3,(H2,33,38)(H,35,37)/t27-,28+,29-/m1/s1
InChIKeyWRSNGGYGRHXKSO-SSBOKUKZSA-N
MW552.76 g/mol
LogP3.93
Rot. Bonds15

About [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate

[(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate (PubChem CID 122454929) has the molecular formula C32H48N4O4 and a molecular weight of 552.76 g/mol. Its IUPAC name is [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate
PubChem CID122454929
Molecular FormulaC32H48N4O4
Molecular Weight552.76 g/mol
Exact Mass552.37
IUPAC Name[(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate
SMILESCC(C)(C)C(=O)N[C@@H](CCN1CCOCC1)CN[C@H](CC[C@H](Cc1ccccc1)OC(N)=O)Cc1ccccc1
InChIInChI=1S/C32H48N4O4/c1-32(2,3)30(37)35-28(16-17-36-18-20-39-21-19-36)24-34-27(22-25-10-6-4-7-11-25)14-15-29(40-31(33)38)23-26-12-8-5-9-13-26/h4-13,27-29,34H,14-24H2,1-3H3,(H2,33,38)(H,35,37)/t27-,28+,29-/m1/s1
InChIKeyWRSNGGYGRHXKSO-SSBOKUKZSA-N
XLogP3.93
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.76
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-1-(4-cyanophenyl)-4-morpholin-4-ylbutan-2-yl]carbamate
CID 129196903
(Z)-4-[1-[(3-morpholin-4-yl-1-phenylpropyl)amino]-3-phenylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 139667201
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-ylbutanoate
CID 59414273
tert-butyl (2S)-4-morpholin-4-yl-2-(phenylmethoxycarbonylamino)butanoate
CID 10595823
(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536
ethyl (2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutanoate
CID 122454826
(2R)-2-(2-morpholin-4-ylethylamino)-3-phenylpropan-1-ol
CID 66961586
tert-butyl N-[1-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-4-morpholin-4-yl-1-oxobutan-2-yl]carbamate
CID 76528530
(2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 99718231
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
CID 120565520
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
benzyl N-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-morpholin-4-ylpropyl]carbamate
CID 50986379

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate?
The IUPAC name of [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate (CID 122454929) is [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate.
What is the SMILES notation for [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate?
The canonical SMILES for [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate is CC(C)(C)C(=O)N[C@@H](CCN1CCOCC1)CN[C@H](CC[C@H](Cc1ccccc1)OC(N)=O)Cc1ccccc1.
What is the InChIKey of [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate?
The InChIKey is WRSNGGYGRHXKSO-SSBOKUKZSA-N. The full InChI is InChI=1S/C32H48N4O4/c1-32(2,3)30(37)35-28(16-17-36-18-20-39-21-19-36)24-34-27(22-25-10-6-4-7-11-25)14-15-29(40-31(33)38)23-26-12-8-5-9-13-26/h4-13,27-29,34H,14-24H2,1-3H3,(H2,33,38)(H,35,37)/t27-,28+,29-/m1/s1.
What are the key properties of [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate?
[(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate has a molecular weight of 552.76 g/mol, XLogP of 3.93, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutyl]amino]-1,6-diphenylhexan-2-yl] carbamate is sourced from PubChem (CID 122454929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).