benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate

C30H33N3O3 — CID 148895168

IUPACbenzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate
SMILESCc1c(NC(=O)OCc2ccccc2)cccc1C(CN)C1=CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C30H33N3O3/c1-21-25(8-5-9-29(21)32-30(34)36-20-22-6-3-2-4-7-22)28(19-31)27-12-10-23-18-24(11-13-26(23)27)33-14-16-35-17-15-33/h2-9,11-13,18,28H,10,14-17,19-20,31H2,1H3,(H,32,34)
InChIKeyPFSHPRNKYMUECY-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.26
Rot. Bonds7

About benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate

benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate (PubChem CID 148895168) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate
PubChem CID148895168
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Namebenzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate
SMILESCc1c(NC(=O)OCc2ccccc2)cccc1C(CN)C1=CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C30H33N3O3/c1-21-25(8-5-9-29(21)32-30(34)36-20-22-6-3-2-4-7-22)28(19-31)27-12-10-23-18-24(11-13-26(23)27)33-14-16-35-17-15-33/h2-9,11-13,18,28H,10,14-17,19-20,31H2,1H3,(H,32,34)
InChIKeyPFSHPRNKYMUECY-UHFFFAOYSA-N
XLogP5.26
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)carbamate
CID 110400424
benzyl N-(5-carbamoyl-2-morpholin-4-ylphenyl)carbamate
CID 90204404
[2-methyl-3-[1-(6-morpholin-4-yl-1H-indol-3-yl)-2-nitroethyl]phenyl]carbamic acid
CID 123227806
benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 59324457
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(phenylmethoxycarbonylamino)benzoic acid
CID 165498809
3-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)benzoic acid
CID 118536103
benzyl N-[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 122340862
benzyl (2S)-4-methyl-2-[[2-[16-[2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]pentanoate
CID 99662039
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-phenylacetamide
CID 110362608

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate?
The IUPAC name of benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate (CID 148895168) is benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate is Cc1c(NC(=O)OCc2ccccc2)cccc1C(CN)C1=CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate?
The InChIKey is PFSHPRNKYMUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-21-25(8-5-9-29(21)32-30(34)36-20-22-6-3-2-4-7-22)28(19-31)27-12-10-23-18-24(11-13-26(23)27)33-14-16-35-17-15-33/h2-9,11-13,18,28H,10,14-17,19-20,31H2,1H3,(H,32,34).
What are the key properties of benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate?
benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate has a molecular weight of 483.61 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-amino-1-(5-morpholin-4-yl-3H-inden-1-yl)ethyl]-2-methylphenyl]carbamate is sourced from PubChem (CID 148895168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).