N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide

C23H22BrN3O4 — CID 4925252

IUPACN-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C23H22BrN3O4/c1-14(2)22(29)25-17-10-7-16(8-11-17)23(30)27-26-20(28)13-31-19-12-9-15-5-3-4-6-18(15)21(19)24/h3-12,14H,13H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyUOHIEBBJSFSINE-UHFFFAOYSA-N
MW484.35 g/mol
LogP4.04
Rot. Bonds6

About N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide

N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide (PubChem CID 4925252) has the molecular formula C23H22BrN3O4 and a molecular weight of 484.35 g/mol. Its IUPAC name is N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
PubChem CID4925252
Molecular FormulaC23H22BrN3O4
Molecular Weight484.35 g/mol
Exact Mass483.08
IUPAC NameN-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C23H22BrN3O4/c1-14(2)22(29)25-17-10-7-16(8-11-17)23(30)27-26-20(28)13-31-19-12-9-15-5-3-4-6-18(15)21(19)24/h3-12,14H,13H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyUOHIEBBJSFSINE-UHFFFAOYSA-N
XLogP4.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508209
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351871
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
3-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-4-ethoxybenzohydrazide
CID 17073886
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340204
4-tert-butyl-N-[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]benzamide
CID 3380438
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17096590

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide (CID 4925252) is N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide?
The InChIKey is UOHIEBBJSFSINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O4/c1-14(2)22(29)25-17-10-7-16(8-11-17)23(30)27-26-20(28)13-31-19-12-9-15-5-3-4-6-18(15)21(19)24/h3-12,14H,13H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide?
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide has a molecular weight of 484.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 4925252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).