[(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate

C29H30N4O4 — CID 134461218

IUPAC[(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
SMILESO=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)O[C@H](CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C29H30N4O4/c34-28-27(31-26(22-11-5-2-6-12-22)23-13-7-8-14-24(23)30-28)32-29(35)37-25(21-9-3-1-4-10-21)15-16-33-17-19-36-20-18-33/h1-14,25,27H,15-20H2,(H,30,34)(H,32,35)/t25-,27-/m1/s1
InChIKeyYTAHJIFKAKIKAV-XNMGPUDCSA-N
MW498.58 g/mol
LogP3.99
Rot. Bonds7

About [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate

[(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate (PubChem CID 134461218) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate.

Molecular Properties

Compound Name[(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
PubChem CID134461218
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name[(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
SMILESO=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)O[C@H](CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C29H30N4O4/c34-28-27(31-26(22-11-5-2-6-12-22)23-13-7-8-14-24(23)30-28)32-29(35)37-25(21-9-3-1-4-10-21)15-16-33-17-19-36-20-18-33/h1-14,25,27H,15-20H2,(H,30,34)(H,32,35)/t25-,27-/m1/s1
InChIKeyYTAHJIFKAKIKAV-XNMGPUDCSA-N
XLogP3.99
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate?
The IUPAC name of [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate (CID 134461218) is [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate.
What is the SMILES notation for [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate?
The canonical SMILES for [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate is O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)O[C@H](CCN1CCOCC1)c1ccccc1.
What is the InChIKey of [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate?
The InChIKey is YTAHJIFKAKIKAV-XNMGPUDCSA-N. The full InChI is InChI=1S/C29H30N4O4/c34-28-27(31-26(22-11-5-2-6-12-22)23-13-7-8-14-24(23)30-28)32-29(35)37-25(21-9-3-1-4-10-21)15-16-33-17-19-36-20-18-33/h1-14,25,27H,15-20H2,(H,30,34)(H,32,35)/t25-,27-/m1/s1.
What are the key properties of [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate?
[(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate has a molecular weight of 498.58 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-morpholin-4-yl-1-phenylpropyl] N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate is sourced from PubChem (CID 134461218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).