2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate

C27H29N3O3 — CID 19749369

IUPAC2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
SMILESCOc1ccc2c(Nc3ccc(CCOC(=O)NC(C)C)cc3)c3cc(C)ccc3nc2c1
InChIInChI=1S/C27H29N3O3/c1-17(2)28-27(31)33-14-13-19-6-8-20(9-7-19)29-26-22-11-10-21(32-4)16-25(22)30-24-12-5-18(3)15-23(24)26/h5-12,15-17H,13-14H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyWMUMGCVJJPMDGK-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.13
Rot. Bonds7

About 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate

2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate (PubChem CID 19749369) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
PubChem CID19749369
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
SMILESCOc1ccc2c(Nc3ccc(CCOC(=O)NC(C)C)cc3)c3cc(C)ccc3nc2c1
InChIInChI=1S/C27H29N3O3/c1-17(2)28-27(31)33-14-13-19-6-8-20(9-7-19)29-26-22-11-10-21(32-4)16-25(22)30-24-12-5-18(3)15-23(24)26/h5-12,15-17H,13-14H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyWMUMGCVJJPMDGK-UHFFFAOYSA-N
XLogP6.13
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-methoxy-2,7-dimethylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749407
[4-[(3,6-dimethoxyacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749280
[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749301
2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749338
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
[3-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749249
[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749170
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate?
The IUPAC name of 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate (CID 19749369) is 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate is COc1ccc2c(Nc3ccc(CCOC(=O)NC(C)C)cc3)c3cc(C)ccc3nc2c1.
What is the InChIKey of 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate?
The InChIKey is WMUMGCVJJPMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-17(2)28-27(31)33-14-13-19-6-8-20(9-7-19)29-26-22-11-10-21(32-4)16-25(22)30-24-12-5-18(3)15-23(24)26/h5-12,15-17H,13-14H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate?
2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate has a molecular weight of 443.55 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 19749369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).