(10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate

C27H34N2O4 — CID 153455280

IUPAC(10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate
SMILESCOc1c2ccccc2c(OC(=O)NCC(C)CC(C)(C)CCNC(C)=O)c2ccccc12
InChIInChI=1S/C27H34N2O4/c1-18(16-27(3,4)14-15-28-19(2)30)17-29-26(31)33-25-22-12-8-6-10-20(22)24(32-5)21-11-7-9-13-23(21)25/h6-13,18H,14-17H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyHYOHUKRVJFVSRV-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.67
Rot. Bonds9

About (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate

(10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate (PubChem CID 153455280) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate.

Molecular Properties

Compound Name(10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate
PubChem CID153455280
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name(10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate
SMILESCOc1c2ccccc2c(OC(=O)NCC(C)CC(C)(C)CCNC(C)=O)c2ccccc12
InChIInChI=1S/C27H34N2O4/c1-18(16-27(3,4)14-15-28-19(2)30)17-29-26(31)33-25-22-12-8-6-10-20(22)24(32-5)21-11-7-9-13-23(21)25/h6-13,18H,14-17H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyHYOHUKRVJFVSRV-UHFFFAOYSA-N
XLogP5.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)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

(10-methoxyanthracen-9-yl) 2-methyl-4-oxopentanoate
CID 153455253
2-[[2-[[6-[[2-(2-methoxyethylamino)-2-oxoacetyl]amino]-2,4,4-trimethylhexyl]amino]-2-oxoacetyl]amino]ethyl acetate
CID 118934885
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl N-[6-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonylamino)-2,4,4-trimethylhexyl]carbamate
CID 165365508
[3,3,5-trimethyl-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamic acid
CID 156874767
3-methoxy-N-(2,4,4-trimethylhexyl)benzamide
CID 134270761
6-[[6-[(5-chloro-5-oxopentanoyl)amino]-3,3,5-trimethylhexyl]amino]-6-oxohexanoyl chloride
CID 90278062
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 163815287
tert-butyl N-[(5S)-6-amino-3,3-dimethyl-5-phenylmethoxyhexyl]carbamate
CID 67087089
1-(10-methoxyanthracen-9-yl)ethanone
CID 176915779
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(2-methoxyphenyl)propyl]urea
CID 111505764
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
CID 170830867

Frequently Asked Questions

What is the IUPAC name of (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate?
The IUPAC name of (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate (CID 153455280) is (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate.
What is the SMILES notation for (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate?
The canonical SMILES for (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate is COc1c2ccccc2c(OC(=O)NCC(C)CC(C)(C)CCNC(C)=O)c2ccccc12.
What is the InChIKey of (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate?
The InChIKey is HYOHUKRVJFVSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-18(16-27(3,4)14-15-28-19(2)30)17-29-26(31)33-25-22-12-8-6-10-20(22)24(32-5)21-11-7-9-13-23(21)25/h6-13,18H,14-17H2,1-5H3,(H,28,30)(H,29,31).
What are the key properties of (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate?
(10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate has a molecular weight of 450.58 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methoxyanthracen-9-yl) N-(6-acetamido-2,4,4-trimethylhexyl)carbamate is sourced from PubChem (CID 153455280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).